2-N-cyclohexyl-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine

C17H21FN4 — CID 112884943

IUPAC2-N-cyclohexyl-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
SMILESFc1ccccc1CNc1ccnc(NC2CCCCC2)n1
InChIInChI=1S/C17H21FN4/c18-15-9-5-4-6-13(15)12-20-16-10-11-19-17(22-16)21-14-7-2-1-3-8-14/h4-6,9-11,14H,1-3,7-8,12H2,(H2,19,20,21,22)
InChIKeyPKRHYYKQPHBUBU-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.97
Rot. Bonds5

About 2-N-cyclohexyl-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine

2-N-cyclohexyl-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112884943) has the molecular formula C17H21FN4 and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-N-cyclohexyl-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112884943
Molecular FormulaC17H21FN4
Molecular Weight300.38 g/mol
Exact Mass300.18
IUPAC Name2-N-cyclohexyl-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
SMILESFc1ccccc1CNc1ccnc(NC2CCCCC2)n1
InChIInChI=1S/C17H21FN4/c18-15-9-5-4-6-13(15)12-20-16-10-11-19-17(22-16)21-14-7-2-1-3-8-14/h4-6,9-11,14H,1-3,7-8,12H2,(H2,19,20,21,22)
InChIKeyPKRHYYKQPHBUBU-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

3-N-cycloheptyl-5-N-[(2-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112949581
4-N-benzyl-2-N-cyclohexylpyrimidine-2,4-diamine
CID 112884937
4-N-[(2-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112891132
2-N-[(2-chlorophenyl)methyl]-4-N-cyclohexylpyrimidine-2,4-diamine
CID 112884764
4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891248
2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112884954
4-N-cyclohexyl-2-N-[(2-fluorophenyl)methyl]quinazoline-2,4-diamine
CID 134106271
4-N-[(2-fluorophenyl)methyl]-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112891151
2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114
4-N-[(2-fluorophenyl)methyl]-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112891121
2-N-(4-bromophenyl)-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891168
2-N-cyclopentyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112884339

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine (CID 112884943) is 2-N-cyclohexyl-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine is Fc1ccccc1CNc1ccnc(NC2CCCCC2)n1.
What is the InChIKey of 2-N-cyclohexyl-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is PKRHYYKQPHBUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4/c18-15-9-5-4-6-13(15)12-20-16-10-11-19-17(22-16)21-14-7-2-1-3-8-14/h4-6,9-11,14H,1-3,7-8,12H2,(H2,19,20,21,22).
What are the key properties of 2-N-cyclohexyl-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine?
2-N-cyclohexyl-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-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 2-N-cyclohexyl-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112884943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).