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

C19H19ClN4 — CID 11121319

IUPAC5-(4-chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(-c2ccc(Cl)cc2)c(CCCc2ccccc2)n1
InChIInChI=1S/C19H19ClN4/c20-15-11-9-14(10-12-15)17-16(23-19(22)24-18(17)21)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H4,21,22,23,24)
InChIKeyPEDYEMSEQIYDBQ-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.14
Rot. Bonds5

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

5-(4-chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine (PubChem CID 11121319) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine
PubChem CID11121319
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name5-(4-chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(-c2ccc(Cl)cc2)c(CCCc2ccccc2)n1
InChIInChI=1S/C19H19ClN4/c20-15-11-9-14(10-12-15)17-16(23-19(22)24-18(17)21)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H4,21,22,23,24)
InChIKeyPEDYEMSEQIYDBQ-UHFFFAOYSA-N
XLogP4.14
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(4-chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine (CID 11121319) is 5-(4-chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine is Nc1nc(N)c(-c2ccc(Cl)cc2)c(CCCc2ccccc2)n1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine?
The InChIKey is PEDYEMSEQIYDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c20-15-11-9-14(10-12-15)17-16(23-19(22)24-18(17)21)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H4,21,22,23,24).
What are the key properties of 5-(4-chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine?
5-(4-chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine has a molecular weight of 338.84 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 11121319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).