2-(5,7-difluoro-1H-indol-3-yl)-6-(4-methoxyphenyl)pyrimidin-4-amine

C19H14F2N4O — CID 134272634

IUPAC2-(5,7-difluoro-1H-indol-3-yl)-6-(4-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(-c2cc(N)nc(-c3c[nH]c4c(F)cc(F)cc34)n2)cc1
InChIInChI=1S/C19H14F2N4O/c1-26-12-4-2-10(3-5-12)16-8-17(22)25-19(24-16)14-9-23-18-13(14)6-11(20)7-15(18)21/h2-9,23H,1H3,(H2,22,24,25)
InChIKeyIQPOOFWMOBFSEL-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.16
Rot. Bonds3

About 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-methoxyphenyl)pyrimidin-4-amine

2-(5,7-difluoro-1H-indol-3-yl)-6-(4-methoxyphenyl)pyrimidin-4-amine (PubChem CID 134272634) has the molecular formula C19H14F2N4O and a molecular weight of 352.34 g/mol. Its IUPAC name is 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5,7-difluoro-1H-indol-3-yl)-6-(4-methoxyphenyl)pyrimidin-4-amine
PubChem CID134272634
Molecular FormulaC19H14F2N4O
Molecular Weight352.34 g/mol
Exact Mass352.11
IUPAC Name2-(5,7-difluoro-1H-indol-3-yl)-6-(4-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(-c2cc(N)nc(-c3c[nH]c4c(F)cc(F)cc34)n2)cc1
InChIInChI=1S/C19H14F2N4O/c1-26-12-4-2-10(3-5-12)16-8-17(22)25-19(24-16)14-9-23-18-13(14)6-11(20)7-15(18)21/h2-9,23H,1H3,(H2,22,24,25)
InChIKeyIQPOOFWMOBFSEL-UHFFFAOYSA-N
XLogP4.16
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pki-166
CID 6918403
Lirafugratinib
CID 155309155
Plx-5622
CID 52936034
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
Meriolin 3
CID 23727981
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
6H-Pyrido(4,3-b)carbazole, 1-((3-aminopropyl)amino)-9-methoxy-5-methyl-, dihydrate
CID 135594
1,3-Propanediamine, N-ethyl-N'-(9-methoxy-5-methyl-6H-pyrido(4,3-b)carbazol-1-yl)-
CID 3068868
1,3-Propanediamine, N'-(5,11-dimethyl-9-methoxy-6H-pyrido(4,3-b)carbazol-1-yl)-N-ethyl-
CID 3068869
N'-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 943137
N-(3-bromophenyl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-amine
CID 5328397

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-methoxyphenyl)pyrimidin-4-amine (CID 134272634) is 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-methoxyphenyl)pyrimidin-4-amine is COc1ccc(-c2cc(N)nc(-c3c[nH]c4c(F)cc(F)cc34)n2)cc1.
What is the InChIKey of 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is IQPOOFWMOBFSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O/c1-26-12-4-2-10(3-5-12)16-8-17(22)25-19(24-16)14-9-23-18-13(14)6-11(20)7-15(18)21/h2-9,23H,1H3,(H2,22,24,25).
What are the key properties of 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-methoxyphenyl)pyrimidin-4-amine?
2-(5,7-difluoro-1H-indol-3-yl)-6-(4-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 352.34 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 134272634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).