2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-N-pyridin-3-ylpyrimidin-4-amine;[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)pyrimidin-4-yl] trifluoromethanesulfonate;pyridin-3-amine

C53H51F3N10O7S — CID 159290018

IUPAC2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-N-pyridin-3-ylpyrimidin-4-amine;[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)pyrimidin-4-yl] trifluoromethanesulfonate;pyridin-3-amine
SMILESNc1cccnc1.O=S(=O)(Oc1cc(-c2cccc(OCc3ccccc3)c2)nc(N2CCOCC2)n1)C(F)(F)F.c1ccc(COc2cccc(-c3cc(Nc4cccnc4)nc(N4CCOCC4)n3)c2)cc1
InChIInChI=1S/C26H25N5O2.C22H20F3N3O5S.C5H6N2/c1-2-6-20(7-3-1)19-33-23-10-4-8-21(16-23)24-17-25(28-22-9-5-11-27-18-22)30-26(29-24)31-12-14-32-15-13-31;23-22(24,25)34(29,30)33-20-14-19(26-21(27-20)28-9-11-31-12-10-28)17-7-4-8-18(13-17)32-15-16-5-2-1-3-6-16;6-5-2-1-3-7-4-5/h1-11,16-18H,12-15,19H2,(H,28,29,30);1-8,13-14H,9-12,15H2;1-4H,6H2
InChIKeyKZZMQAPCKVRRNH-UHFFFAOYSA-N
MW1029.12 g/mol
LogP9.15
Rot. Bonds14

About 2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-N-pyridin-3-ylpyrimidin-4-amine;[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)pyrimidin-4-yl] trifluoromethanesulfonate;pyridin-3-amine

2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-N-pyridin-3-ylpyrimidin-4-amine;[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)pyrimidin-4-yl] trifluoromethanesulfonate;pyridin-3-amine (PubChem CID 159290018) has the molecular formula C53H51F3N10O7S and a molecular weight of 1029.12 g/mol. Its IUPAC name is 2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-N-pyridin-3-ylpyrimidin-4-amine;[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)pyrimidin-4-yl] trifluoromethanesulfonate;pyridin-3-amine.

Molecular Properties

Compound Name2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-N-pyridin-3-ylpyrimidin-4-amine;[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)pyrimidin-4-yl] trifluoromethanesulfonate;pyridin-3-amine
PubChem CID159290018
Molecular FormulaC53H51F3N10O7S
Molecular Weight1029.12 g/mol
Exact Mass1028.36
IUPAC Name2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-N-pyridin-3-ylpyrimidin-4-amine;[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)pyrimidin-4-yl] trifluoromethanesulfonate;pyridin-3-amine
SMILESNc1cccnc1.O=S(=O)(Oc1cc(-c2cccc(OCc3ccccc3)c2)nc(N2CCOCC2)n1)C(F)(F)F.c1ccc(COc2cccc(-c3cc(Nc4cccnc4)nc(N4CCOCC4)n3)c2)cc1
InChIInChI=1S/C26H25N5O2.C22H20F3N3O5S.C5H6N2/c1-2-6-20(7-3-1)19-33-23-10-4-8-21(16-23)24-17-25(28-22-9-5-11-27-18-22)30-26(29-24)31-12-14-32-15-13-31;23-22(24,25)34(29,30)33-20-14-19(26-21(27-20)28-9-11-31-12-10-28)17-7-4-8-18(13-17)32-15-16-5-2-1-3-6-16;6-5-2-1-3-7-4-5/h1-11,16-18H,12-15,19H2,(H,28,29,30);1-8,13-14H,9-12,15H2;1-4H,6H2
InChIKeyKZZMQAPCKVRRNH-UHFFFAOYSA-N
XLogP9.15
TPSA202.16 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001029.12
LogP ≤ 59.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-N-pyridin-3-ylpyrimidin-4-amine;[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)pyrimidin-4-yl] trifluoromethanesulfonate;pyridin-3-amine with MolForge

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Related Compounds

5-(2-Morpholino-6-(6-phenoxypyridin-3-ylamino)pyrimidin-4-yl)pyrimidin-2-amine
CID 53322731
4-(2-(3-(Benzyloxy)phenyl)-6-(pyridin-2-yl)pyrimidin-4-yl)morpholine
CID 53326165
4-(7,8-Difluoro-3-quinolylamino)-2-[p-(3-morpholinopropoxy) phenylamino]pyrimidine
CID 176369190
2-[p-(3-Morpholinopropoxy) phenylamino]-4-[8-(trifluoromethyl)-3-quinolylamino]pyrimidine
CID 176369206
2-[p-(3-Morpholinopropoxy) phenylamino]-4-(8-trifluoromethoxy-3-quinolylamino)pyrimidine
CID 176369462
6-(2,6-cis-Dimethyl-morpholin-4-ylmethyl)-9-trifluoromethyl-3-(3-trifluoromethyl-pyridin-2-yl)-12H-7-oxa-4,5,12-triaza-benzo[a]anthracene
CID 11519825
2-N-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-N-[6-(trifluoromethoxy)quinolin-3-yl]pyrimidine-2,4-diamine
CID 20826955
N-[3-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]-7-[3-(trifluoromethyl)pyridin-2-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 23537178
N-[3-(2-morpholin-4-ylethoxy)phenyl]-7-[3-(trifluoromethyl)pyridin-2-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 23537181
4-[4-[(2R)-2-methyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-6-[3-(trifluoromethoxy)phenyl]pyrimidin-2-yl]morpholine
CID 57761146
4-[4-(3-methoxyphenyl)-6-[(2R)-2-methyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 57761283
4-[4-(3-ethoxyphenyl)-6-[(2R)-2-methyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 57761348

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-N-pyridin-3-ylpyrimidin-4-amine;[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)pyrimidin-4-yl] trifluoromethanesulfonate;pyridin-3-amine?
The IUPAC name of 2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-N-pyridin-3-ylpyrimidin-4-amine;[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)pyrimidin-4-yl] trifluoromethanesulfonate;pyridin-3-amine (CID 159290018) is 2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-N-pyridin-3-ylpyrimidin-4-amine;[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)pyrimidin-4-yl] trifluoromethanesulfonate;pyridin-3-amine.
What is the SMILES notation for 2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-N-pyridin-3-ylpyrimidin-4-amine;[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)pyrimidin-4-yl] trifluoromethanesulfonate;pyridin-3-amine?
The canonical SMILES for 2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-N-pyridin-3-ylpyrimidin-4-amine;[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)pyrimidin-4-yl] trifluoromethanesulfonate;pyridin-3-amine is Nc1cccnc1.O=S(=O)(Oc1cc(-c2cccc(OCc3ccccc3)c2)nc(N2CCOCC2)n1)C(F)(F)F.c1ccc(COc2cccc(-c3cc(Nc4cccnc4)nc(N4CCOCC4)n3)c2)cc1.
What is the InChIKey of 2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-N-pyridin-3-ylpyrimidin-4-amine;[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)pyrimidin-4-yl] trifluoromethanesulfonate;pyridin-3-amine?
The InChIKey is KZZMQAPCKVRRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2.C22H20F3N3O5S.C5H6N2/c1-2-6-20(7-3-1)19-33-23-10-4-8-21(16-23)24-17-25(28-22-9-5-11-27-18-22)30-26(29-24)31-12-14-32-15-13-31;23-22(24,25)34(29,30)33-20-14-19(26-21(27-20)28-9-11-31-12-10-28)17-7-4-8-18(13-17)32-15-16-5-2-1-3-6-16;6-5-2-1-3-7-4-5/h1-11,16-18H,12-15,19H2,(H,28,29,30);1-8,13-14H,9-12,15H2;1-4H,6H2.
What are the key properties of 2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-N-pyridin-3-ylpyrimidin-4-amine;[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)pyrimidin-4-yl] trifluoromethanesulfonate;pyridin-3-amine?
2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-N-pyridin-3-ylpyrimidin-4-amine;[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)pyrimidin-4-yl] trifluoromethanesulfonate;pyridin-3-amine has a molecular weight of 1029.12 g/mol, XLogP of 9.15, 14 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)-N-pyridin-3-ylpyrimidin-4-amine;[2-morpholin-4-yl-6-(3-phenylmethoxyphenyl)pyrimidin-4-yl] trifluoromethanesulfonate;pyridin-3-amine is sourced from PubChem (CID 159290018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).