4-N-(3-methylphenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine

C15H19N5 — CID 19137318

IUPAC4-N-(3-methylphenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine
SMILESCc1cccc(Nc2ncnc(N3CCCC3)c2N)c1
InChIInChI=1S/C15H19N5/c1-11-5-4-6-12(9-11)19-14-13(16)15(18-10-17-14)20-7-2-3-8-20/h4-6,9-10H,2-3,7-8,16H2,1H3,(H,17,18,19)
InChIKeyKVQDMJMYQMSGDW-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.71
Rot. Bonds3

About 4-N-(3-methylphenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine

4-N-(3-methylphenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine (PubChem CID 19137318) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-N-(3-methylphenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-methylphenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine
PubChem CID19137318
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name4-N-(3-methylphenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine
SMILESCc1cccc(Nc2ncnc(N3CCCC3)c2N)c1
InChIInChI=1S/C15H19N5/c1-11-5-4-6-12(9-11)19-14-13(16)15(18-10-17-14)20-7-2-3-8-20/h4-6,9-10H,2-3,7-8,16H2,1H3,(H,17,18,19)
InChIKeyKVQDMJMYQMSGDW-UHFFFAOYSA-N
XLogP2.71
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138227
N-(3-methylphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine
CID 23489390
4-N-(2,5-dimethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 22546979
6-(azepan-1-yl)-4-N-(4-bromophenyl)pyrimidine-4,5-diamine
CID 19137871
4-N-(4-bromophenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 19137506
6-piperidin-1-yl-4-N-pyridin-4-ylpyrimidine-4,5-diamine
CID 22543393
4-N-(3-bromophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138641
4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148233
4-N-(3,4-dimethylphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546235
6-(azepan-1-yl)-4-N-(4-iodophenyl)pyrimidine-4,5-diamine
CID 19137872
4-N-(3,5-dimethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 22540923
6-(azepan-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19137874

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylphenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3-methylphenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine (CID 19137318) is 4-N-(3-methylphenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3-methylphenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3-methylphenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine is Cc1cccc(Nc2ncnc(N3CCCC3)c2N)c1.
What is the InChIKey of 4-N-(3-methylphenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine?
The InChIKey is KVQDMJMYQMSGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-11-5-4-6-12(9-11)19-14-13(16)15(18-10-17-14)20-7-2-3-8-20/h4-6,9-10H,2-3,7-8,16H2,1H3,(H,17,18,19).
What are the key properties of 4-N-(3-methylphenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine?
4-N-(3-methylphenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine has a molecular weight of 269.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylphenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 19137318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).