2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine

C21H24N4O — CID 91963368

IUPAC2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
SMILESCOc1ccccc1CNc1nc(NC2CCCC2)nc2ccccc12
InChIInChI=1S/C21H24N4O/c1-26-19-13-7-2-8-15(19)14-22-20-17-11-5-6-12-18(17)24-21(25-20)23-16-9-3-4-10-16/h2,5-8,11-13,16H,3-4,9-10,14H2,1H3,(H2,22,23,24,25)
InChIKeyAYFZNHFDKDRKPI-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.61
Rot. Bonds6

About 2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine

2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine (PubChem CID 91963368) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
PubChem CID91963368
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
SMILESCOc1ccccc1CNc1nc(NC2CCCC2)nc2ccccc12
InChIInChI=1S/C21H24N4O/c1-26-19-13-7-2-8-15(19)14-22-20-17-11-5-6-12-18(17)24-21(25-20)23-16-9-3-4-10-16/h2,5-8,11-13,16H,3-4,9-10,14H2,1H3,(H2,22,23,24,25)
InChIKeyAYFZNHFDKDRKPI-UHFFFAOYSA-N
XLogP4.61
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclopentyl-2-N-[[2-(4-methylphenoxy)phenyl]methyl]quinazoline-2,4-diamine
CID 59682601
2-N-cyclohexyl-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine
CID 91963512
2-N-cyclohexyl-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112910525
2-N-[(2-methoxyphenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963631
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963375
4-N-cyclohexyl-2-N-[(2-fluorophenyl)methyl]quinazoline-2,4-diamine
CID 134106271
4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethylquinazoline-2,4-diamine
CID 91963294
2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963270
3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenol
CID 91963240
4-N-[(2-methoxyphenyl)methyl]-2-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
CID 91963356
5-N-cyclopentyl-3-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112941449
2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 20963119

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine?
The IUPAC name of 2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine (CID 91963368) is 2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine?
The canonical SMILES for 2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine is COc1ccccc1CNc1nc(NC2CCCC2)nc2ccccc12.
What is the InChIKey of 2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine?
The InChIKey is AYFZNHFDKDRKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-26-19-13-7-2-8-15(19)14-22-20-17-11-5-6-12-18(17)24-21(25-20)23-16-9-3-4-10-16/h2,5-8,11-13,16H,3-4,9-10,14H2,1H3,(H2,22,23,24,25).
What are the key properties of 2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine?
2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine has a molecular weight of 348.45 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 91963368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).