5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine

C19H19ClN4 — CID 9974420

IUPAC5-(3-chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESC1=CC=C(C=C1)CCCC2=C(C(=NC(=N2)N)N)C3=CC(=CC=C3)Cl
InChIInChI=1S/C19H19ClN4/c20-15-10-5-9-14(12-15)17-16(23-19(22)24-18(17)21)11-4-8-13-6-2-1-3-7-13/h1-3,5-7,9-10,12H,4,8,11H2,(H4,21,22,23,24)
InChIKeyCZDYZPVAAIFLQU-UHFFFAOYSA-N
MW338.80 g/mol
LogP4.20
Rot. Bonds5

About 5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine

5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine (PubChem CID 9974420) has the molecular formula C19H19ClN4 and a molecular weight of 338.80 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine
PubChem CID9974420
Molecular FormulaC19H19ClN4
Molecular Weight338.80 g/mol
Exact Mass338.13
IUPAC Name5-(3-chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESC1=CC=C(C=C1)CCCC2=C(C(=NC(=N2)N)N)C3=CC(=CC=C3)Cl
InChIInChI=1S/C19H19ClN4/c20-15-10-5-9-14(12-15)17-16(23-19(22)24-18(17)21)11-4-8-13-6-2-1-3-7-13/h1-3,5-7,9-10,12H,4,8,11H2,(H4,21,22,23,24)
InChIKeyCZDYZPVAAIFLQU-UHFFFAOYSA-N
XLogP4.20
TPSA77.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity374

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimethamine
CID 4993
Metoprine
CID 24466
Etoprine
CID 29142
Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
4,6-Diphenylpyrimidin-2-amine
CID 619024
2-Amino-4-chloro-6-phenylpyrimidine
CID 240802
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
5-(4-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 134531
4-Chloro-6-methyl-2-phenylpyrimidine
CID 598255
4-Chloro-2,6-diphenylpyrimidine
CID 582041
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905

Frequently Asked Questions

What is the IUPAC name of 5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine (CID 9974420) is 5-(3-chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine is C1=CC=C(C=C1)CCCC2=C(C(=NC(=N2)N)N)C3=CC(=CC=C3)Cl.
What is the InChIKey of 5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine?
The InChIKey is CZDYZPVAAIFLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c20-15-10-5-9-14(12-15)17-16(23-19(22)24-18(17)21)11-4-8-13-6-2-1-3-7-13/h1-3,5-7,9-10,12H,4,8,11H2,(H4,21,22,23,24).
What are the key properties of 5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine?
5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine has a molecular weight of 338.80 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 9974420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).