2-N-cyclopentyl-4-N-(2-fluorophenyl)-6-phenylpyrimidine-2,4-diamine

C21H21FN4 — CID 112934451

IUPAC2-N-cyclopentyl-4-N-(2-fluorophenyl)-6-phenylpyrimidine-2,4-diamine
SMILESFc1ccccc1Nc1cc(-c2ccccc2)nc(NC2CCCC2)n1
InChIInChI=1S/C21H21FN4/c22-17-12-6-7-13-18(17)24-20-14-19(15-8-2-1-3-9-15)25-21(26-20)23-16-10-4-5-11-16/h1-3,6-9,12-14,16H,4-5,10-11H2,(H2,23,24,25,26)
InChIKeyGYLHUWSDLXDPKV-UHFFFAOYSA-N
MW348.43 g/mol
LogP5.38
Rot. Bonds5

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

2-N-cyclopentyl-4-N-(2-fluorophenyl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 112934451) has the molecular formula C21H21FN4 and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-N-cyclopentyl-4-N-(2-fluorophenyl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-4-N-(2-fluorophenyl)-6-phenylpyrimidine-2,4-diamine
PubChem CID112934451
Molecular FormulaC21H21FN4
Molecular Weight348.43 g/mol
Exact Mass348.18
IUPAC Name2-N-cyclopentyl-4-N-(2-fluorophenyl)-6-phenylpyrimidine-2,4-diamine
SMILESFc1ccccc1Nc1cc(-c2ccccc2)nc(NC2CCCC2)n1
InChIInChI=1S/C21H21FN4/c22-17-12-6-7-13-18(17)24-20-14-19(15-8-2-1-3-9-15)25-21(26-20)23-16-10-4-5-11-16/h1-3,6-9,12-14,16H,4-5,10-11H2,(H2,23,24,25,26)
InChIKeyGYLHUWSDLXDPKV-UHFFFAOYSA-N
XLogP5.38
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.43
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-cyclopropyl-6-phenyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112933219
4-N-(2-fluorophenyl)-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935750
3-N-cyclohexyl-5-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112942477
4-N-cyclohexyl-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112869068
4-N-cyclopentyl-2-N-(1,1-dioxothiolan-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112934370
4-N-butyl-2-N-cyclohexyl-6-phenylpyrimidine-2,4-diamine
CID 112933540
2-N-cyclopentyl-4-N-(1,1-dioxothiolan-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112934436
2-N-cyclohexyl-4-N-(1,1-dioxothiolan-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112934694
4-N-cyclopentyl-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112934408
2-N-cyclopropyl-6-phenyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112933212
2-N-cyclopentyl-6-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112934432
4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]benzonitrile
CID 112934407

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-4-N-(2-fluorophenyl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclopentyl-4-N-(2-fluorophenyl)-6-phenylpyrimidine-2,4-diamine (CID 112934451) is 2-N-cyclopentyl-4-N-(2-fluorophenyl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopentyl-4-N-(2-fluorophenyl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclopentyl-4-N-(2-fluorophenyl)-6-phenylpyrimidine-2,4-diamine is Fc1ccccc1Nc1cc(-c2ccccc2)nc(NC2CCCC2)n1.
What is the InChIKey of 2-N-cyclopentyl-4-N-(2-fluorophenyl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is GYLHUWSDLXDPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4/c22-17-12-6-7-13-18(17)24-20-14-19(15-8-2-1-3-9-15)25-21(26-20)23-16-10-4-5-11-16/h1-3,6-9,12-14,16H,4-5,10-11H2,(H2,23,24,25,26).
What are the key properties of 2-N-cyclopentyl-4-N-(2-fluorophenyl)-6-phenylpyrimidine-2,4-diamine?
2-N-cyclopentyl-4-N-(2-fluorophenyl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 348.43 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-4-N-(2-fluorophenyl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112934451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).