N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine;N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-cyclopropylquinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;6-(1-methylpyrazol-3-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine

C105H97BrN30O4 — CID 159144154

IUPACN-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine;N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-cyclopropylquinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;6-(1-methylpyrazol-3-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine
SMILESCn1ccc(-c2cc3cnc(Nc4cccc(Cn5cccn5)c4)nc3cc2OCc2cnccn2)n1.Nc1ccc(-c2cc(CN3CCOCC3)cc(Nc3ncc4cc(Br)ccc4n3)c2)cn1.Nc1ccc(-c2cc(CN3CCOCC3)cc(Nc3ncc4cc(C5CC5)ccc4n3)c2)cn1.c1cc(Cn2ccnc2)cc(Nc2ncc3cc(-c4cn[nH]c4)c(OCCc4cnccn4)cc3n2)c1
InChIInChI=1S/2C27H23N9O.C27H28N6O.C24H23BrN6O/c1-35-11-6-24(34-35)23-13-20-15-30-27(32-21-5-2-4-19(12-21)17-36-10-3-7-31-36)33-25(20)14-26(23)37-18-22-16-28-8-9-29-22;1-2-19(17-36-8-7-29-18-36)10-22(3-1)34-27-31-13-20-11-24(21-14-32-33-15-21)26(12-25(20)35-27)37-9-4-23-16-28-5-6-30-23;28-26-6-4-21(15-29-26)22-11-18(17-33-7-9-34-10-8-33)12-24(14-22)31-27-30-16-23-13-20(19-1-2-19)3-5-25(23)32-27;25-20-2-3-22-19(11-20)14-28-24(30-22)29-21-10-16(15-31-5-7-32-8-6-31)9-18(12-21)17-1-4-23(26)27-13-17/h2-16H,17-18H2,1H3,(H,30,32,33);1-3,5-8,10-16,18H,4,9,17H2,(H,32,33)(H,31,34,35);3-6,11-16,19H,1-2,7-10,17H2,(H2,28,29)(H,30,31,32);1-4,9-14H,5-8,15H2,(H2,26,27)(H,28,29,30)
InChIKeyKILUCPODYNDYOS-UHFFFAOYSA-N
MW1923.04 g/mol
LogP18.15
Rot. Bonds28

About N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine;N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-cyclopropylquinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;6-(1-methylpyrazol-3-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine

N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine;N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-cyclopropylquinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;6-(1-methylpyrazol-3-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine (PubChem CID 159144154) has the molecular formula C105H97BrN30O4 and a molecular weight of 1923.04 g/mol. Its IUPAC name is N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine;N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-cyclopropylquinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;6-(1-methylpyrazol-3-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine.

Molecular Properties

Compound NameN-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine;N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-cyclopropylquinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;6-(1-methylpyrazol-3-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine
PubChem CID159144154
Molecular FormulaC105H97BrN30O4
Molecular Weight1923.04 g/mol
Exact Mass1920.75
IUPAC NameN-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine;N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-cyclopropylquinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;6-(1-methylpyrazol-3-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine
SMILESCn1ccc(-c2cc3cnc(Nc4cccc(Cn5cccn5)c4)nc3cc2OCc2cnccn2)n1.Nc1ccc(-c2cc(CN3CCOCC3)cc(Nc3ncc4cc(Br)ccc4n3)c2)cn1.Nc1ccc(-c2cc(CN3CCOCC3)cc(Nc3ncc4cc(C5CC5)ccc4n3)c2)cn1.c1cc(Cn2ccnc2)cc(Nc2ncc3cc(-c4cn[nH]c4)c(OCCc4cnccn4)cc3n2)c1
InChIInChI=1S/2C27H23N9O.C27H28N6O.C24H23BrN6O/c1-35-11-6-24(34-35)23-13-20-15-30-27(32-21-5-2-4-19(12-21)17-36-10-3-7-31-36)33-25(20)14-26(23)37-18-22-16-28-8-9-29-22;1-2-19(17-36-8-7-29-18-36)10-22(3-1)34-27-31-13-20-11-24(21-14-32-33-15-21)26(12-25(20)35-27)37-9-4-23-16-28-5-6-30-23;28-26-6-4-21(15-29-26)22-11-18(17-33-7-9-34-10-8-33)12-24(14-22)31-27-30-16-23-13-20(19-1-2-19)3-5-25(23)32-27;25-20-2-3-22-19(11-20)14-28-24(30-22)29-21-10-16(15-31-5-7-32-8-6-31)9-18(12-21)17-1-4-23(26)27-13-17/h2-16H,17-18H2,1H3,(H,30,32,33);1-3,5-8,10-16,18H,4,9,17H2,(H,32,33)(H,31,34,35);3-6,11-16,19H,1-2,7-10,17H2,(H2,28,29)(H,30,31,32);1-4,9-14H,5-8,15H2,(H2,26,27)(H,28,29,30)
InChIKeyKILUCPODYNDYOS-UHFFFAOYSA-N
XLogP18.15
TPSA406.16 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds28
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001923.04
LogP ≤ 518.15
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Analyze N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine;N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-cyclopropylquinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;6-(1-methylpyrazol-3-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine;N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-cyclopropylquinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;6-(1-methylpyrazol-3-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine?
The IUPAC name of N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine;N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-cyclopropylquinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;6-(1-methylpyrazol-3-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine (CID 159144154) is N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine;N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-cyclopropylquinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;6-(1-methylpyrazol-3-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine.
What is the SMILES notation for N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine;N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-cyclopropylquinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;6-(1-methylpyrazol-3-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine?
The canonical SMILES for N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine;N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-cyclopropylquinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;6-(1-methylpyrazol-3-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine is Cn1ccc(-c2cc3cnc(Nc4cccc(Cn5cccn5)c4)nc3cc2OCc2cnccn2)n1.Nc1ccc(-c2cc(CN3CCOCC3)cc(Nc3ncc4cc(Br)ccc4n3)c2)cn1.Nc1ccc(-c2cc(CN3CCOCC3)cc(Nc3ncc4cc(C5CC5)ccc4n3)c2)cn1.c1cc(Cn2ccnc2)cc(Nc2ncc3cc(-c4cn[nH]c4)c(OCCc4cnccn4)cc3n2)c1.
What is the InChIKey of N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine;N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-cyclopropylquinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;6-(1-methylpyrazol-3-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine?
The InChIKey is KILUCPODYNDYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H23N9O.C27H28N6O.C24H23BrN6O/c1-35-11-6-24(34-35)23-13-20-15-30-27(32-21-5-2-4-19(12-21)17-36-10-3-7-31-36)33-25(20)14-26(23)37-18-22-16-28-8-9-29-22;1-2-19(17-36-8-7-29-18-36)10-22(3-1)34-27-31-13-20-11-24(21-14-32-33-15-21)26(12-25(20)35-27)37-9-4-23-16-28-5-6-30-23;28-26-6-4-21(15-29-26)22-11-18(17-33-7-9-34-10-8-33)12-24(14-22)31-27-30-16-23-13-20(19-1-2-19)3-5-25(23)32-27;25-20-2-3-22-19(11-20)14-28-24(30-22)29-21-10-16(15-31-5-7-32-8-6-31)9-18(12-21)17-1-4-23(26)27-13-17/h2-16H,17-18H2,1H3,(H,30,32,33);1-3,5-8,10-16,18H,4,9,17H2,(H,32,33)(H,31,34,35);3-6,11-16,19H,1-2,7-10,17H2,(H2,28,29)(H,30,31,32);1-4,9-14H,5-8,15H2,(H2,26,27)(H,28,29,30).
What are the key properties of N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine;N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-cyclopropylquinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;6-(1-methylpyrazol-3-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine?
N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine;N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-cyclopropylquinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;6-(1-methylpyrazol-3-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine has a molecular weight of 1923.04 g/mol, XLogP of 18.15, 28 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-bromoquinazolin-2-amine;N-[3-(6-amino-3-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-cyclopropylquinazolin-2-amine;N-[3-(imidazol-1-ylmethyl)phenyl]-7-(2-pyrazin-2-ylethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-amine;6-(1-methylpyrazol-3-yl)-7-(pyrazin-2-ylmethoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]quinazolin-2-amine is sourced from PubChem (CID 159144154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).