2-N-cyclohexyl-4-N-(4-fluorophenyl)pteridine-2,4-diamine

C18H19FN6 — CID 16910617

IUPAC2-N-cyclohexyl-4-N-(4-fluorophenyl)pteridine-2,4-diamine
SMILESFc1ccc(Nc2nc(NC3CCCCC3)nc3nccnc23)cc1
InChIInChI=1S/C18H19FN6/c19-12-6-8-14(9-7-12)22-17-15-16(21-11-10-20-15)24-18(25-17)23-13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H2,21,22,23,24,25)
InChIKeyQRQASRULEIABPG-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.05
Rot. Bonds4

About 2-N-cyclohexyl-4-N-(4-fluorophenyl)pteridine-2,4-diamine

2-N-cyclohexyl-4-N-(4-fluorophenyl)pteridine-2,4-diamine (PubChem CID 16910617) has the molecular formula C18H19FN6 and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-N-cyclohexyl-4-N-(4-fluorophenyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-4-N-(4-fluorophenyl)pteridine-2,4-diamine
PubChem CID16910617
Molecular FormulaC18H19FN6
Molecular Weight338.39 g/mol
Exact Mass338.17
IUPAC Name2-N-cyclohexyl-4-N-(4-fluorophenyl)pteridine-2,4-diamine
SMILESFc1ccc(Nc2nc(NC3CCCCC3)nc3nccnc23)cc1
InChIInChI=1S/C18H19FN6/c19-12-6-8-14(9-7-12)22-17-15-16(21-11-10-20-15)24-18(25-17)23-13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H2,21,22,23,24,25)
InChIKeyQRQASRULEIABPG-UHFFFAOYSA-N
XLogP4.05
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-cyclohexyl-4-N-(4-fluorophenyl)pteridine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(4-chlorophenyl)-2-N-cyclohexylpteridine-2,4-diamine
CID 16910684
2-N-cycloheptyl-4-N-(4-methylphenyl)pteridine-2,4-diamine
CID 16910766
2-N-cycloheptyl-4-N-(4-methoxyphenyl)pteridine-2,4-diamine
CID 16910827
2-N-(2,2-diethoxyethyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine
CID 16910626
4-N-(4-fluorophenyl)-2-N-(2-thiophen-2-ylethyl)pteridine-2,4-diamine
CID 51699968
6-chloro-4-N-(4-chlorophenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine
CID 758948
2-N-cyclohexyl-8-methoxy-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67718532
5-N-cyclohexyl-3-N-(4-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112942291
6-chloro-2-N-cyclohexyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine
CID 53418694
2-N-(4-phenoxyphenyl)-4-N-phenylpteridine-2,4-diamine
CID 16911174
2-N-butyl-4-N-(4-fluorophenyl)-2-N-methylpteridine-2,4-diamine
CID 16910636
2-N-cycloheptyl-6-N-[4-(2,3-dihydrothiophen-2-yl)phenyl]-7H-purine-2,6-diamine
CID 11589546

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-4-N-(4-fluorophenyl)pteridine-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-4-N-(4-fluorophenyl)pteridine-2,4-diamine (CID 16910617) is 2-N-cyclohexyl-4-N-(4-fluorophenyl)pteridine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-4-N-(4-fluorophenyl)pteridine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-4-N-(4-fluorophenyl)pteridine-2,4-diamine is Fc1ccc(Nc2nc(NC3CCCCC3)nc3nccnc23)cc1.
What is the InChIKey of 2-N-cyclohexyl-4-N-(4-fluorophenyl)pteridine-2,4-diamine?
The InChIKey is QRQASRULEIABPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6/c19-12-6-8-14(9-7-12)22-17-15-16(21-11-10-20-15)24-18(25-17)23-13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H2,21,22,23,24,25).
What are the key properties of 2-N-cyclohexyl-4-N-(4-fluorophenyl)pteridine-2,4-diamine?
2-N-cyclohexyl-4-N-(4-fluorophenyl)pteridine-2,4-diamine has a molecular weight of 338.39 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-4-N-(4-fluorophenyl)pteridine-2,4-diamine is sourced from PubChem (CID 16910617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).