4-N-cyclohexyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine

C17H21FN4 — CID 112856201

IUPAC4-N-cyclohexyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
SMILESFc1ccc(CNc2cc(NC3CCCCC3)ncn2)cc1
InChIInChI=1S/C17H21FN4/c18-14-8-6-13(7-9-14)11-19-16-10-17(21-12-20-16)22-15-4-2-1-3-5-15/h6-10,12,15H,1-5,11H2,(H2,19,20,21,22)
InChIKeyYNAGZFIUXQMZRN-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.97
Rot. Bonds5

About 4-N-cyclohexyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine

4-N-cyclohexyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 112856201) has the molecular formula C17H21FN4 and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
PubChem CID112856201
Molecular FormulaC17H21FN4
Molecular Weight300.38 g/mol
Exact Mass300.18
IUPAC Name4-N-cyclohexyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
SMILESFc1ccc(CNc2cc(NC3CCCCC3)ncn2)cc1
InChIInChI=1S/C17H21FN4/c18-14-8-6-13(7-9-14)11-19-16-10-17(21-12-20-16)22-15-4-2-1-3-5-15/h6-10,12,15H,1-5,11H2,(H2,19,20,21,22)
InChIKeyYNAGZFIUXQMZRN-UHFFFAOYSA-N
XLogP3.97
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclohexylpyrimidine-4,6-diamine
CID 112856206
4-N-cycloheptyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859063
6-N-[(4-fluorophenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265801
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680
4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112861063
4-N-cyclohexyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112856213
4-N-cyclopentyl-6-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine
CID 112855977
4-N-cyclohexyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112856250
4-[[[6-[[(3S)-oxan-3-yl]amino]pyrimidin-4-yl]amino]methyl]benzonitrile
CID 129333914
4-N-cyclohexyl-6-N-(3-fluorophenyl)pyrimidine-4,6-diamine
CID 112856315
[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341642
4-N-cycloheptyl-6-N-(2,6-difluorophenyl)pyrimidine-4,6-diamine
CID 112863930

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclohexyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine (CID 112856201) is 4-N-cyclohexyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclohexyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclohexyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine is Fc1ccc(CNc2cc(NC3CCCCC3)ncn2)cc1.
What is the InChIKey of 4-N-cyclohexyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is YNAGZFIUXQMZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4/c18-14-8-6-13(7-9-14)11-19-16-10-17(21-12-20-16)22-15-4-2-1-3-5-15/h6-10,12,15H,1-5,11H2,(H2,19,20,21,22).
What are the key properties of 4-N-cyclohexyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine?
4-N-cyclohexyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 300.38 g/mol, XLogP of 3.97, 5 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-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112856201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).