4-N-cyclopentyl-6-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine

C15H16F2N4 — CID 112855977

IUPAC4-N-cyclopentyl-6-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine
SMILESFc1ccc(Nc2cc(NC3CCCC3)ncn2)c(F)c1
InChIInChI=1S/C15H16F2N4/c16-10-5-6-13(12(17)7-10)21-15-8-14(18-9-19-15)20-11-3-1-2-4-11/h5-9,11H,1-4H2,(H2,18,19,20,21)
InChIKeyXTNFDEBLYTWBTN-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.85
Rot. Bonds4

About 4-N-cyclopentyl-6-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine

4-N-cyclopentyl-6-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine (PubChem CID 112855977) has the molecular formula C15H16F2N4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-N-cyclopentyl-6-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-6-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine
PubChem CID112855977
Molecular FormulaC15H16F2N4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-N-cyclopentyl-6-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine
SMILESFc1ccc(Nc2cc(NC3CCCC3)ncn2)c(F)c1
InChIInChI=1S/C15H16F2N4/c16-10-5-6-13(12(17)7-10)21-15-8-14(18-9-19-15)20-11-3-1-2-4-11/h5-9,11H,1-4H2,(H2,18,19,20,21)
InChIKeyXTNFDEBLYTWBTN-UHFFFAOYSA-N
XLogP3.85
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclohexyl-6-N-(2,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112869121
4-N-cyclohexyl-6-N-(3-fluorophenyl)pyrimidine-4,6-diamine
CID 112856315
4-N-cycloheptyl-6-N-(2,6-difluorophenyl)pyrimidine-4,6-diamine
CID 112863930
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680
4-N-cyclopropyl-6-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 67695312
4-N-cyclopropyl-6-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112854769
4-N-cyclohexyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112856201
6-N-(3-chloro-4-fluorophenyl)-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854795
N-cycloheptyl-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109125066
N-cyclohexyl-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109113119
6-N-[2-(4-chlorophenyl)ethyl]-4-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine
CID 112862560
4-N-cyclohexyl-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112869068

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-6-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopentyl-6-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine (CID 112855977) is 4-N-cyclopentyl-6-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopentyl-6-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopentyl-6-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine is Fc1ccc(Nc2cc(NC3CCCC3)ncn2)c(F)c1.
What is the InChIKey of 4-N-cyclopentyl-6-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine?
The InChIKey is XTNFDEBLYTWBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4/c16-10-5-6-13(12(17)7-10)21-15-8-14(18-9-19-15)20-11-3-1-2-4-11/h5-9,11H,1-4H2,(H2,18,19,20,21).
What are the key properties of 4-N-cyclopentyl-6-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine?
4-N-cyclopentyl-6-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine has a molecular weight of 290.32 g/mol, XLogP of 3.85, 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-(2,4-difluorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112855977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).