4-N-cyclohexyl-6-(2-phenylmethoxyphenyl)quinazoline-2,4-diamine

C27H28N4O — CID 69013354

IUPAC4-N-cyclohexyl-6-(2-phenylmethoxyphenyl)quinazoline-2,4-diamine
SMILESNc1nc(NC2CCCCC2)c2cc(-c3ccccc3OCc3ccccc3)ccc2n1
InChIInChI=1S/C27H28N4O/c28-27-30-24-16-15-20(17-23(24)26(31-27)29-21-11-5-2-6-12-21)22-13-7-8-14-25(22)32-18-19-9-3-1-4-10-19/h1,3-4,7-10,13-17,21H,2,5-6,11-12,18H2,(H3,28,29,30,31)
InChIKeyBSAJFSCDVGVAFD-UHFFFAOYSA-N
MW424.55 g/mol
LogP6.20
Rot. Bonds6

About 4-N-cyclohexyl-6-(2-phenylmethoxyphenyl)quinazoline-2,4-diamine

4-N-cyclohexyl-6-(2-phenylmethoxyphenyl)quinazoline-2,4-diamine (PubChem CID 69013354) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-(2-phenylmethoxyphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6-(2-phenylmethoxyphenyl)quinazoline-2,4-diamine
PubChem CID69013354
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC Name4-N-cyclohexyl-6-(2-phenylmethoxyphenyl)quinazoline-2,4-diamine
SMILESNc1nc(NC2CCCCC2)c2cc(-c3ccccc3OCc3ccccc3)ccc2n1
InChIInChI=1S/C27H28N4O/c28-27-30-24-16-15-20(17-23(24)26(31-27)29-21-11-5-2-6-12-21)22-13-7-8-14-25(22)32-18-19-9-3-1-4-10-19/h1,3-4,7-10,13-17,21H,2,5-6,11-12,18H2,(H3,28,29,30,31)
InChIKeyBSAJFSCDVGVAFD-UHFFFAOYSA-N
XLogP6.20
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclohexyl-6-(4-ethoxy-3-phenylmethoxyphenyl)quinazoline-2,4-diamine
CID 69015363
4-N-cyclohexyl-6-(4-phenylphenyl)quinazoline-2,4-diamine
CID 69014350
4-N-cyclohexyl-6-dibenzofuran-4-ylquinazoline-2,4-diamine
CID 69013924
4-N-cyclohexyl-6-(2,6-dichloro-3-pyridinyl)quinazoline-2,4-diamine
CID 87656967
2-[2-[2-amino-4-(cyclohexylamino)quinazolin-6-yl]anilino]butanedial
CID 87685599
4-N-cyclooctylquinazoline-2,4-diamine
CID 80786546
6-(6-bromo-3-pyridinyl)-4-N-cyclohexylquinazoline-2,4-diamine
CID 87658802
6-methyl-7-phenylmethoxy-4-N-[(3R)-piperidin-3-yl]quinazoline-2,4-diamine
CID 159978683
4-N-cyclohexyl-6-[3-(dimethylamino)phenyl]quinazoline-2,4-diamine
CID 69015335
6-[5-(2-aminopyrimidin-4-yl)-2-phenylmethoxyphenyl]-4-N-cyclohexylpyrimidine-2,4-diamine
CID 171853443
4-N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazoline-2,4-diamine
CID 69014628
6-(6-bromo-5-methyl-3-pyridinyl)-4-N-cyclohexylquinazoline-2,4-diamine
CID 87656658

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-6-(2-phenylmethoxyphenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-6-(2-phenylmethoxyphenyl)quinazoline-2,4-diamine (CID 69013354) is 4-N-cyclohexyl-6-(2-phenylmethoxyphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-6-(2-phenylmethoxyphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-6-(2-phenylmethoxyphenyl)quinazoline-2,4-diamine is Nc1nc(NC2CCCCC2)c2cc(-c3ccccc3OCc3ccccc3)ccc2n1.
What is the InChIKey of 4-N-cyclohexyl-6-(2-phenylmethoxyphenyl)quinazoline-2,4-diamine?
The InChIKey is BSAJFSCDVGVAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c28-27-30-24-16-15-20(17-23(24)26(31-27)29-21-11-5-2-6-12-21)22-13-7-8-14-25(22)32-18-19-9-3-1-4-10-19/h1,3-4,7-10,13-17,21H,2,5-6,11-12,18H2,(H3,28,29,30,31).
What are the key properties of 4-N-cyclohexyl-6-(2-phenylmethoxyphenyl)quinazoline-2,4-diamine?
4-N-cyclohexyl-6-(2-phenylmethoxyphenyl)quinazoline-2,4-diamine has a molecular weight of 424.55 g/mol, XLogP of 6.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-6-(2-phenylmethoxyphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 69013354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).