4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine

C19H16N4 — CID 15653057

IUPAC4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(-c3c[nH]c4ccccc34)n2)c1
InChIInChI=1S/C19H16N4/c1-13-5-4-6-14(11-13)22-19-20-10-9-18(23-19)16-12-21-17-8-3-2-7-15(16)17/h2-12,21H,1H3,(H,20,22,23)
InChIKeySXECPSYATJXFOJ-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.68
Rot. Bonds3

About 4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine

4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine (PubChem CID 15653057) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine
PubChem CID15653057
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(-c3c[nH]c4ccccc34)n2)c1
InChIInChI=1S/C19H16N4/c1-13-5-4-6-14(11-13)22-19-20-10-9-18(23-19)16-12-21-17-8-3-2-7-15(16)17/h2-12,21H,1H3,(H,20,22,23)
InChIKeySXECPSYATJXFOJ-UHFFFAOYSA-N
XLogP4.68
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-4-phenylpyrimidin-2-amine
CID 20772097
N-(3-methoxyphenyl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine
CID 24992713
4-(5-methoxy-1H-indol-3-yl)-N-phenylpyrimidin-2-amine
CID 70148912
4-[2-(3-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one
CID 170970812
4-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 12817737
4-(5-aminothiophen-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine
CID 59468418
sodium;4-(2-chloro-4-pyridinyl)-N-(3-methylphenyl)pyrimidin-2-amine;hydroxide
CID 23720657
ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 90795343
N-pyridin-2-yl-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine
CID 24992716
N-(2-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(4-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-methylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 157498117
1-[1-[4-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-yl]ethanone
CID 69074430
1-[4-(1H-indol-3-yl)pyrimidin-2-yl]ethanamine
CID 116897574

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine (CID 15653057) is 4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine is Cc1cccc(Nc2nccc(-c3c[nH]c4ccccc34)n2)c1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine?
The InChIKey is SXECPSYATJXFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-13-5-4-6-14(11-13)22-19-20-10-9-18(23-19)16-12-21-17-8-3-2-7-15(16)17/h2-12,21H,1H3,(H,20,22,23).
What are the key properties of 4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine?
4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine has a molecular weight of 300.37 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 15653057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).