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

C21H23FN4 — CID 91963512

IUPAC2-N-cyclohexyl-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine
SMILESFc1ccc(CNc2nc(NC3CCCCC3)nc3ccccc23)cc1
InChIInChI=1S/C21H23FN4/c22-16-12-10-15(11-13-16)14-23-20-18-8-4-5-9-19(18)25-21(26-20)24-17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14H2,(H2,23,24,25,26)
InChIKeyPONHPGMXYIVJKS-UHFFFAOYSA-N
MW350.44 g/mol
LogP5.13
Rot. Bonds5

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

2-N-cyclohexyl-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine (PubChem CID 91963512) has the molecular formula C21H23FN4 and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-N-cyclohexyl-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine
PubChem CID91963512
Molecular FormulaC21H23FN4
Molecular Weight350.44 g/mol
Exact Mass350.19
IUPAC Name2-N-cyclohexyl-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine
SMILESFc1ccc(CNc2nc(NC3CCCCC3)nc3ccccc23)cc1
InChIInChI=1S/C21H23FN4/c22-16-12-10-15(11-13-16)14-23-20-18-8-4-5-9-19(18)25-21(26-20)24-17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14H2,(H2,23,24,25,26)
InChIKeyPONHPGMXYIVJKS-UHFFFAOYSA-N
XLogP5.13
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.44
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963368
4-N-cyclohexyl-2-N-[(2-fluorophenyl)methyl]quinazoline-2,4-diamine
CID 134106271
N-[(4-fluorophenyl)methyl]-2-(piperidin-1-ylmethyl)quinazolin-4-amine
CID 118722361
4-N-[(4-fluorophenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine
CID 91963377
N-cyclohexyl-4-methylquinazolin-2-amine
CID 118714792
2-N-[4-(dimethylamino)phenyl]-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine
CID 91963396
6-N-benzyl-2-N-cyclohexyl-9-cyclopentylpurine-2,6-diamine
CID 59552324
4-N-cyclooctylquinazoline-2,4-diamine
CID 80786546
4-N-cyclopentyl-2-N-[(2-iodo-6-phenoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71121510
N-[(4-fluorophenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine
CID 21004285
4-N-cyclopentyl-2-N-[[2-(4-methylphenoxy)phenyl]methyl]quinazoline-2,4-diamine
CID 59682601
1-[3-[[4-[(4-fluorophenyl)methylamino]quinazolin-2-yl]amino]phenyl]ethanone
CID 91963399

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine (CID 91963512) is 2-N-cyclohexyl-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine is Fc1ccc(CNc2nc(NC3CCCCC3)nc3ccccc23)cc1.
What is the InChIKey of 2-N-cyclohexyl-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine?
The InChIKey is PONHPGMXYIVJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4/c22-16-12-10-15(11-13-16)14-23-20-18-8-4-5-9-19(18)25-21(26-20)24-17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14H2,(H2,23,24,25,26).
What are the key properties of 2-N-cyclohexyl-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine?
2-N-cyclohexyl-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine has a molecular weight of 350.44 g/mol, XLogP of 5.13, 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-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 91963512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).