5-chloro-4-N-(2-methylphenyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine

C16H14ClN5 — CID 155665838

IUPAC5-chloro-4-N-(2-methylphenyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine
SMILESCc1ccccc1Nc1nc(Nc2ccncc2)ncc1Cl
InChIInChI=1S/C16H14ClN5/c1-11-4-2-3-5-14(11)21-15-13(17)10-19-16(22-15)20-12-6-8-18-9-7-12/h2-10H,1H3,(H2,18,19,20,21,22)
InChIKeySNCUFQOXMSHUEF-UHFFFAOYSA-N
MW311.78 g/mol
LogP4.32
Rot. Bonds4

About 5-chloro-4-N-(2-methylphenyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine

5-chloro-4-N-(2-methylphenyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine (PubChem CID 155665838) has the molecular formula C16H14ClN5 and a molecular weight of 311.78 g/mol. Its IUPAC name is 5-chloro-4-N-(2-methylphenyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2-methylphenyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine
PubChem CID155665838
Molecular FormulaC16H14ClN5
Molecular Weight311.78 g/mol
Exact Mass311.09
IUPAC Name5-chloro-4-N-(2-methylphenyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine
SMILESCc1ccccc1Nc1nc(Nc2ccncc2)ncc1Cl
InChIInChI=1S/C16H14ClN5/c1-11-4-2-3-5-14(11)21-15-13(17)10-19-16(22-15)20-12-6-8-18-9-7-12/h2-10H,1H3,(H2,18,19,20,21,22)
InChIKeySNCUFQOXMSHUEF-UHFFFAOYSA-N
XLogP4.32
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.78
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Cgp-60474
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5-chloro-2-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
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4-[[4-[4-(2-Cyanoethyl)-2,6-dimethyl-anilino]pyrimidin-2-yl]amino]benzonitrile
CID 5270788
Pik-iii
CID 67983123
4-N-[(2,4-dichlorophenyl)methyl]-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine
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CID 948954

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2-methylphenyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(2-methylphenyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine (CID 155665838) is 5-chloro-4-N-(2-methylphenyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2-methylphenyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2-methylphenyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine is Cc1ccccc1Nc1nc(Nc2ccncc2)ncc1Cl.
What is the InChIKey of 5-chloro-4-N-(2-methylphenyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine?
The InChIKey is SNCUFQOXMSHUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5/c1-11-4-2-3-5-14(11)21-15-13(17)10-19-16(22-15)20-12-6-8-18-9-7-12/h2-10H,1H3,(H2,18,19,20,21,22).
What are the key properties of 5-chloro-4-N-(2-methylphenyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine?
5-chloro-4-N-(2-methylphenyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine has a molecular weight of 311.78 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2-methylphenyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 155665838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).