4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N,2-N-dimethylquinazoline-2,4-diamine;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)

C58H57N23 — CID 91198563

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N,2-N-dimethylquinazoline-2,4-diamine;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)
SMILESCN(C)c1nc(Nc2cc(C3CC3)[nH]n2)c2ccccc2n1.Cc1cc(Nc2nc(NCc3cccnc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1
InChIInChI=1S/C18H17N7.C16H18N6.2C12H11N5/c1-12-9-16(25-24-12)22-17-14-6-2-3-7-15(14)21-18(23-17)20-11-13-5-4-8-19-10-13;1-22(2)16-17-12-6-4-3-5-11(12)15(19-16)18-14-9-13(20-21-14)10-7-8-10;2*1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12/h2-10H,11H2,1H3,(H3,20,21,22,23,24,25);3-6,9-10H,7-8H2,1-2H3,(H2,17,18,19,20,21);2*2-7H,1H3,(H2,13,14,15,16,17)
InChIKeyBGGLSVQUOVYSLX-UHFFFAOYSA-N
MW1076.25 g/mol
LogP11.26
Rot. Bonds13

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N,2-N-dimethylquinazoline-2,4-diamine;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N,2-N-dimethylquinazoline-2,4-diamine;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine) (PubChem CID 91198563) has the molecular formula C58H57N23 and a molecular weight of 1076.25 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N,2-N-dimethylquinazoline-2,4-diamine;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine).

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N,2-N-dimethylquinazoline-2,4-diamine;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)
PubChem CID91198563
Molecular FormulaC58H57N23
Molecular Weight1076.25 g/mol
Exact Mass1075.52
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N,2-N-dimethylquinazoline-2,4-diamine;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)
SMILESCN(C)c1nc(Nc2cc(C3CC3)[nH]n2)c2ccccc2n1.Cc1cc(Nc2nc(NCc3cccnc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1
InChIInChI=1S/C18H17N7.C16H18N6.2C12H11N5/c1-12-9-16(25-24-12)22-17-14-6-2-3-7-15(14)21-18(23-17)20-11-13-5-4-8-19-10-13;1-22(2)16-17-12-6-4-3-5-11(12)15(19-16)18-14-9-13(20-21-14)10-7-8-10;2*1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12/h2-10H,11H2,1H3,(H3,20,21,22,23,24,25);3-6,9-10H,7-8H2,1-2H3,(H2,17,18,19,20,21);2*2-7H,1H3,(H2,13,14,15,16,17)
InChIKeyBGGLSVQUOVYSLX-UHFFFAOYSA-N
XLogP11.26
TPSA294.12 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms81
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001076.25
LogP ≤ 511.26
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Analyze 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N,2-N-dimethylquinazoline-2,4-diamine;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine) with MolForge

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Related Compounds

N-(5-methyl-1H-pyrazol-3-yl)-2-(pyridin-4-yl)quinazolin-4-amine
CID 9901007
4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
CID 9945436
3-((4-methylpiperazin-1-yl)methyl)-9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridine
CID 44572054
5-(4-methylpiperazin-1-yl)-3-phenyl-2-(4-((4-(5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)-1,6-naphthyridine
CID 44561058
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyridyl)quinazolin-4-amine
CID 70693802
N-(5-phenyl-1h-pyrazol-3-yl)-2-(4-pyridinyl)-4-quinazolinamine
CID 71295991
1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 58514982
N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-3-ylquinazolin-4-amine
CID 9922444
N-[3-[2-[5-(5-amino-3-pyridinyl)-1-[2-[3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluoroanilino]ethyl-methylamino]pyrazolo[5,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 136631167
2-[6-[6-[(4-fluorophenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 155756964
N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine
CID 155756975
2-[6-[6-[(6-fluoro-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 155756991

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N,2-N-dimethylquinazoline-2,4-diamine;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N,2-N-dimethylquinazoline-2,4-diamine;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine) (CID 91198563) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N,2-N-dimethylquinazoline-2,4-diamine;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine).
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N,2-N-dimethylquinazoline-2,4-diamine;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N,2-N-dimethylquinazoline-2,4-diamine;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine) is CN(C)c1nc(Nc2cc(C3CC3)[nH]n2)c2ccccc2n1.Cc1cc(Nc2nc(NCc3cccnc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N,2-N-dimethylquinazoline-2,4-diamine;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)?
The InChIKey is BGGLSVQUOVYSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7.C16H18N6.2C12H11N5/c1-12-9-16(25-24-12)22-17-14-6-2-3-7-15(14)21-18(23-17)20-11-13-5-4-8-19-10-13;1-22(2)16-17-12-6-4-3-5-11(12)15(19-16)18-14-9-13(20-21-14)10-7-8-10;2*1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12/h2-10H,11H2,1H3,(H3,20,21,22,23,24,25);3-6,9-10H,7-8H2,1-2H3,(H2,17,18,19,20,21);2*2-7H,1H3,(H2,13,14,15,16,17).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N,2-N-dimethylquinazoline-2,4-diamine;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N,2-N-dimethylquinazoline-2,4-diamine;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine) has a molecular weight of 1076.25 g/mol, XLogP of 11.26, 13 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N,2-N-dimethylquinazoline-2,4-diamine;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine;bis(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine) is sourced from PubChem (CID 91198563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).