5-(4-chlorophenyl)-6-(2-methylpropyl)pyrimidine-2,4-diamine

C14H17ClN4 — CID 23423608

IUPAC5-(4-chlorophenyl)-6-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)Cc1nc(N)nc(N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN4/c1-8(2)7-11-12(13(16)19-14(17)18-11)9-3-5-10(15)6-4-9/h3-6,8H,7H2,1-2H3,(H4,16,17,18,19)
InChIKeyOJICAGOARSTCMM-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.16
Rot. Bonds3

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

5-(4-chlorophenyl)-6-(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 23423608) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(2-methylpropyl)pyrimidine-2,4-diamine
PubChem CID23423608
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name5-(4-chlorophenyl)-6-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)Cc1nc(N)nc(N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN4/c1-8(2)7-11-12(13(16)19-14(17)18-11)9-3-5-10(15)6-4-9/h3-6,8H,7H2,1-2H3,(H4,16,17,18,19)
InChIKeyOJICAGOARSTCMM-UHFFFAOYSA-N
XLogP3.16
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.16
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-(2-methylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(4-chlorophenyl)-6-(2-methylpropyl)pyrimidine-2,4-diamine (CID 23423608) is 5-(4-chlorophenyl)-6-(2-methylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(2-methylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-chlorophenyl)-6-(2-methylpropyl)pyrimidine-2,4-diamine is CC(C)Cc1nc(N)nc(N)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(2-methylpropyl)pyrimidine-2,4-diamine?
The InChIKey is OJICAGOARSTCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-8(2)7-11-12(13(16)19-14(17)18-11)9-3-5-10(15)6-4-9/h3-6,8H,7H2,1-2H3,(H4,16,17,18,19).
What are the key properties of 5-(4-chlorophenyl)-6-(2-methylpropyl)pyrimidine-2,4-diamine?
5-(4-chlorophenyl)-6-(2-methylpropyl)pyrimidine-2,4-diamine has a molecular weight of 276.77 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 23423608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).