4-N-cyclohexyl-6-N-(3-fluorophenyl)pyrimidine-4,6-diamine

C16H19FN4 — CID 112856315

IUPAC4-N-cyclohexyl-6-N-(3-fluorophenyl)pyrimidine-4,6-diamine
SMILESFc1cccc(Nc2cc(NC3CCCCC3)ncn2)c1
InChIInChI=1S/C16H19FN4/c17-12-5-4-8-14(9-12)21-16-10-15(18-11-19-16)20-13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7H2,(H2,18,19,20,21)
InChIKeyIVTVJVMCZSKXHX-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.10
Rot. Bonds4

About 4-N-cyclohexyl-6-N-(3-fluorophenyl)pyrimidine-4,6-diamine

4-N-cyclohexyl-6-N-(3-fluorophenyl)pyrimidine-4,6-diamine (PubChem CID 112856315) has the molecular formula C16H19FN4 and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-N-(3-fluorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6-N-(3-fluorophenyl)pyrimidine-4,6-diamine
PubChem CID112856315
Molecular FormulaC16H19FN4
Molecular Weight286.35 g/mol
Exact Mass286.16
IUPAC Name4-N-cyclohexyl-6-N-(3-fluorophenyl)pyrimidine-4,6-diamine
SMILESFc1cccc(Nc2cc(NC3CCCCC3)ncn2)c1
InChIInChI=1S/C16H19FN4/c17-12-5-4-8-14(9-12)21-16-10-15(18-11-19-16)20-13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7H2,(H2,18,19,20,21)
InChIKeyIVTVJVMCZSKXHX-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopentyl-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112868750
4-N-cycloheptyl-6-N-(2,6-difluorophenyl)pyrimidine-4,6-diamine
CID 112863930
1-[3-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112863902
4-N-cycloheptyl-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine
CID 112899930
4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80760392
4-N-cyclopentyl-6-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine
CID 112855977
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680
6-N-(3-chloro-4-fluorophenyl)-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854795
6-N-(3-bromophenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine
CID 70209213
6-N-(3-fluorophenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281980
4-N-cyclohexyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112856201
4-N-cyclopropyl-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,6-diamine
CID 112854840

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-6-N-(3-fluorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclohexyl-6-N-(3-fluorophenyl)pyrimidine-4,6-diamine (CID 112856315) is 4-N-cyclohexyl-6-N-(3-fluorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclohexyl-6-N-(3-fluorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclohexyl-6-N-(3-fluorophenyl)pyrimidine-4,6-diamine is Fc1cccc(Nc2cc(NC3CCCCC3)ncn2)c1.
What is the InChIKey of 4-N-cyclohexyl-6-N-(3-fluorophenyl)pyrimidine-4,6-diamine?
The InChIKey is IVTVJVMCZSKXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4/c17-12-5-4-8-14(9-12)21-16-10-15(18-11-19-16)20-13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7H2,(H2,18,19,20,21).
What are the key properties of 4-N-cyclohexyl-6-N-(3-fluorophenyl)pyrimidine-4,6-diamine?
4-N-cyclohexyl-6-N-(3-fluorophenyl)pyrimidine-4,6-diamine has a molecular weight of 286.35 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-6-N-(3-fluorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112856315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).