N-(3-propan-2-ylphenyl)-2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine

C20H19N5 — CID 170687414

IUPACN-(3-propan-2-ylphenyl)-2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine
SMILESCC(C)c1cccc(Nc2c(-c3ccncn3)[nH]c3cnccc23)c1
InChIInChI=1S/C20H19N5/c1-13(2)14-4-3-5-15(10-14)24-19-16-6-8-21-11-18(16)25-20(19)17-7-9-22-12-23-17/h3-13,24-25H,1-2H3
InChIKeyKBQTYWPOCWENGT-UHFFFAOYSA-N
MW329.41 g/mol
LogP4.89
Rot. Bonds4

About N-(3-propan-2-ylphenyl)-2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine

N-(3-propan-2-ylphenyl)-2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine (PubChem CID 170687414) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is N-(3-propan-2-ylphenyl)-2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-propan-2-ylphenyl)-2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine
PubChem CID170687414
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC NameN-(3-propan-2-ylphenyl)-2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine
SMILESCC(C)c1cccc(Nc2c(-c3ccncn3)[nH]c3cnccc23)c1
InChIInChI=1S/C20H19N5/c1-13(2)14-4-3-5-15(10-14)24-19-16-6-8-21-11-18(16)25-20(19)17-7-9-22-12-23-17/h3-13,24-25H,1-2H3
InChIKeyKBQTYWPOCWENGT-UHFFFAOYSA-N
XLogP4.89
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine
CID 170687412
N-(3-propan-2-ylphenyl)-6,9,14,16,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaen-2-amine
CID 176723132
5-(3-propan-2-ylanilino)-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid
CID 170683343
6-(3-propan-2-ylanilino)-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid
CID 170687498
3-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide
CID 105071923
2-chloro-N-(3-propan-2-ylphenyl)pyrimidin-4-amine
CID 60726103
8-(3-propan-2-ylanilino)-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-5-carboxylic acid
CID 171736732
1-[3-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]ethanol
CID 141068001
5-nitro-4-N-(3-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80759446
3-[[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]phenol
CID 71447760
3-anilino-6,6-dimethyl-2-pyrimidin-4-yl-5,7-dihydro-1H-indol-4-one;3-(3-chloroanilino)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
CID 118607222
2-methyl-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-diamine
CID 55012235

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-ylphenyl)-2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine?
The IUPAC name of N-(3-propan-2-ylphenyl)-2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine (CID 170687414) is N-(3-propan-2-ylphenyl)-2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine.
What is the SMILES notation for N-(3-propan-2-ylphenyl)-2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine?
The canonical SMILES for N-(3-propan-2-ylphenyl)-2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine is CC(C)c1cccc(Nc2c(-c3ccncn3)[nH]c3cnccc23)c1.
What is the InChIKey of N-(3-propan-2-ylphenyl)-2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine?
The InChIKey is KBQTYWPOCWENGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-13(2)14-4-3-5-15(10-14)24-19-16-6-8-21-11-18(16)25-20(19)17-7-9-22-12-23-17/h3-13,24-25H,1-2H3.
What are the key properties of N-(3-propan-2-ylphenyl)-2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine?
N-(3-propan-2-ylphenyl)-2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine has a molecular weight of 329.41 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-ylphenyl)-2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine is sourced from PubChem (CID 170687414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).