6-(3-chloro-2-methylphenyl)-4-N-(1-phenylethyl)pyrimidine-2,4-diamine

C19H19ClN4 — CID 118567911

IUPAC6-(3-chloro-2-methylphenyl)-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
SMILESCc1c(Cl)cccc1-c1cc(NC(C)c2ccccc2)nc(N)n1
InChIInChI=1S/C19H19ClN4/c1-12-15(9-6-10-16(12)20)17-11-18(24-19(21)23-17)22-13(2)14-7-4-3-5-8-14/h3-11,13H,1-2H3,(H3,21,22,23,24)
InChIKeySOSGINOJVOEJDA-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.86
Rot. Bonds4

About 6-(3-chloro-2-methylphenyl)-4-N-(1-phenylethyl)pyrimidine-2,4-diamine

6-(3-chloro-2-methylphenyl)-4-N-(1-phenylethyl)pyrimidine-2,4-diamine (PubChem CID 118567911) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 6-(3-chloro-2-methylphenyl)-4-N-(1-phenylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-chloro-2-methylphenyl)-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
PubChem CID118567911
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name6-(3-chloro-2-methylphenyl)-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
SMILESCc1c(Cl)cccc1-c1cc(NC(C)c2ccccc2)nc(N)n1
InChIInChI=1S/C19H19ClN4/c1-12-15(9-6-10-16(12)20)17-11-18(24-19(21)23-17)22-13(2)14-7-4-3-5-8-14/h3-11,13H,1-2H3,(H3,21,22,23,24)
InChIKeySOSGINOJVOEJDA-UHFFFAOYSA-N
XLogP4.86
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(3-chloro-2-methylphenyl)pyrimidin-2-amine
CID 90189205
4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine
CID 80769538
4-N-(3-aminopropyl)-6-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 118567875
4-N-but-3-enyl-6-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 118559559
4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 113221029
N-[amino-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]methyl]hydroxylamine
CID 118567910
4-[[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]methyl]cyclohexane-1-carboxylic acid
CID 174851715
5-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzene-1,2,3-triol
CID 118559241
6-(3-chloro-2-methylphenyl)-4-N-[2-(3-methyl-2,3-dihydro-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine
CID 118568224
6-(3-chloro-2-methylphenyl)-4-N-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]butyl]pyrimidine-2,4-diamine
CID 137371401
2,6-dichloro-N-(1-phenylethyl)aniline
CID 65467797
1-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea
CID 118559510

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-methylphenyl)-4-N-(1-phenylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(3-chloro-2-methylphenyl)-4-N-(1-phenylethyl)pyrimidine-2,4-diamine (CID 118567911) is 6-(3-chloro-2-methylphenyl)-4-N-(1-phenylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-chloro-2-methylphenyl)-4-N-(1-phenylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-chloro-2-methylphenyl)-4-N-(1-phenylethyl)pyrimidine-2,4-diamine is Cc1c(Cl)cccc1-c1cc(NC(C)c2ccccc2)nc(N)n1.
What is the InChIKey of 6-(3-chloro-2-methylphenyl)-4-N-(1-phenylethyl)pyrimidine-2,4-diamine?
The InChIKey is SOSGINOJVOEJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-12-15(9-6-10-16(12)20)17-11-18(24-19(21)23-17)22-13(2)14-7-4-3-5-8-14/h3-11,13H,1-2H3,(H3,21,22,23,24).
What are the key properties of 6-(3-chloro-2-methylphenyl)-4-N-(1-phenylethyl)pyrimidine-2,4-diamine?
6-(3-chloro-2-methylphenyl)-4-N-(1-phenylethyl)pyrimidine-2,4-diamine has a molecular weight of 338.84 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-methylphenyl)-4-N-(1-phenylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 118567911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).