4-N-cyclopentyl-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine

C16H19FN4 — CID 112868750

IUPAC4-N-cyclopentyl-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2cccc(F)c2)cc(NC2CCCC2)n1
InChIInChI=1S/C16H19FN4/c1-11-18-15(20-13-6-2-3-7-13)10-16(19-11)21-14-8-4-5-12(17)9-14/h4-5,8-10,13H,2-3,6-7H2,1H3,(H2,18,19,20,21)
InChIKeyVQWGYIARGHXECI-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.02
Rot. Bonds4

About 4-N-cyclopentyl-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine

4-N-cyclopentyl-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112868750) has the molecular formula C16H19FN4 and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-N-cyclopentyl-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112868750
Molecular FormulaC16H19FN4
Molecular Weight286.35 g/mol
Exact Mass286.16
IUPAC Name4-N-cyclopentyl-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2cccc(F)c2)cc(NC2CCCC2)n1
InChIInChI=1S/C16H19FN4/c1-11-18-15(20-13-6-2-3-7-13)10-16(19-11)21-14-8-4-5-12(17)9-14/h4-5,8-10,13H,2-3,6-7H2,1H3,(H2,18,19,20,21)
InChIKeyVQWGYIARGHXECI-UHFFFAOYSA-N
XLogP4.02
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopentyl-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine (CID 112868750) is 4-N-cyclopentyl-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopentyl-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopentyl-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine is Cc1nc(Nc2cccc(F)c2)cc(NC2CCCC2)n1.
What is the InChIKey of 4-N-cyclopentyl-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is VQWGYIARGHXECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4/c1-11-18-15(20-13-6-2-3-7-13)10-16(19-11)21-14-8-4-5-12(17)9-14/h4-5,8-10,13H,2-3,6-7H2,1H3,(H2,18,19,20,21).
What are the key properties of 4-N-cyclopentyl-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
4-N-cyclopentyl-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 286.35 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112868750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).