(2R)-2-[[2-amino-7-[3-[[methyl(2-phenylethyl)amino]methyl]-4-pyridinyl]quinazolin-4-yl]amino]-2-methylhexan-1-ol

C30H38N6O — CID 169156285

IUPAC(2R)-2-[[2-amino-7-[3-[[methyl(2-phenylethyl)amino]methyl]-4-pyridinyl]quinazolin-4-yl]amino]-2-methylhexan-1-ol
SMILESCCCC[C@](C)(CO)Nc1nc(N)nc2cc(-c3ccncc3CN(C)CCc3ccccc3)ccc12
InChIInChI=1S/C30H38N6O/c1-4-5-15-30(2,21-37)35-28-26-12-11-23(18-27(26)33-29(31)34-28)25-13-16-32-19-24(25)20-36(3)17-14-22-9-7-6-8-10-22/h6-13,16,18-19,37H,4-5,14-15,17,20-21H2,1-3H3,(H3,31,33,34,35)/t30-/m1/s1
InChIKeyOYECVTFOPWRZSY-SSEXGKCCSA-N
MW498.68 g/mol
LogP5.30
Rot. Bonds12

About (2R)-2-[[2-amino-7-[3-[[methyl(2-phenylethyl)amino]methyl]-4-pyridinyl]quinazolin-4-yl]amino]-2-methylhexan-1-ol

(2R)-2-[[2-amino-7-[3-[[methyl(2-phenylethyl)amino]methyl]-4-pyridinyl]quinazolin-4-yl]amino]-2-methylhexan-1-ol (PubChem CID 169156285) has the molecular formula C30H38N6O and a molecular weight of 498.68 g/mol. Its IUPAC name is (2R)-2-[[2-amino-7-[3-[[methyl(2-phenylethyl)amino]methyl]-4-pyridinyl]quinazolin-4-yl]amino]-2-methylhexan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[2-amino-7-[3-[[methyl(2-phenylethyl)amino]methyl]-4-pyridinyl]quinazolin-4-yl]amino]-2-methylhexan-1-ol
PubChem CID169156285
Molecular FormulaC30H38N6O
Molecular Weight498.68 g/mol
Exact Mass498.31
IUPAC Name(2R)-2-[[2-amino-7-[3-[[methyl(2-phenylethyl)amino]methyl]-4-pyridinyl]quinazolin-4-yl]amino]-2-methylhexan-1-ol
SMILESCCCC[C@](C)(CO)Nc1nc(N)nc2cc(-c3ccncc3CN(C)CCc3ccccc3)ccc12
InChIInChI=1S/C30H38N6O/c1-4-5-15-30(2,21-37)35-28-26-12-11-23(18-27(26)33-29(31)34-28)25-13-16-32-19-24(25)20-36(3)17-14-22-9-7-6-8-10-22/h6-13,16,18-19,37H,4-5,14-15,17,20-21H2,1-3H3,(H3,31,33,34,35)/t30-/m1/s1
InChIKeyOYECVTFOPWRZSY-SSEXGKCCSA-N
XLogP5.30
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.68
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[[2-amino-7-[3-[[methyl(2-phenylethyl)amino]methyl]-4-pyridinyl]quinazolin-4-yl]amino]-2-methylhexan-1-ol 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

Ngd-8243
CID 11247522
N-(4-methylphenyl)-4-quinolin-4-ylpyrimidin-2-amine
CID 44820374
2-phenyl-N-(pyridin-4-yl)quinazolin-4-amine
CID 6456587
N-(4-{[(2-Methoxyethyl)amino]methyl}phenyl)-6-(Pyridin-4-Yl)quinazolin-2-Amine
CID 70702306
2-(ethoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 9983112
2-methyl-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 10238413
2-(methoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 10367774
2-(isopropoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030052
2-((2,6-dimethylmorpholino)methyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030066
4-Amino-6-[1-[6-fluoro-4-(2-hydroxyethylamino)-3-phenylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 49872924
(3S,4R)-3-fluoro-1-[4-[[8-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-propan-2-ylisoquinolin-3-yl]amino]pyrimidin-2-yl]-3-methylpiperidin-4-ol
CID 166547287
N-(4-methylphenyl)-2-pyridin-4-yl-4-quinazolinamine
CID 748627

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-amino-7-[3-[[methyl(2-phenylethyl)amino]methyl]-4-pyridinyl]quinazolin-4-yl]amino]-2-methylhexan-1-ol?
The IUPAC name of (2R)-2-[[2-amino-7-[3-[[methyl(2-phenylethyl)amino]methyl]-4-pyridinyl]quinazolin-4-yl]amino]-2-methylhexan-1-ol (CID 169156285) is (2R)-2-[[2-amino-7-[3-[[methyl(2-phenylethyl)amino]methyl]-4-pyridinyl]quinazolin-4-yl]amino]-2-methylhexan-1-ol.
What is the SMILES notation for (2R)-2-[[2-amino-7-[3-[[methyl(2-phenylethyl)amino]methyl]-4-pyridinyl]quinazolin-4-yl]amino]-2-methylhexan-1-ol?
The canonical SMILES for (2R)-2-[[2-amino-7-[3-[[methyl(2-phenylethyl)amino]methyl]-4-pyridinyl]quinazolin-4-yl]amino]-2-methylhexan-1-ol is CCCC[C@](C)(CO)Nc1nc(N)nc2cc(-c3ccncc3CN(C)CCc3ccccc3)ccc12.
What is the InChIKey of (2R)-2-[[2-amino-7-[3-[[methyl(2-phenylethyl)amino]methyl]-4-pyridinyl]quinazolin-4-yl]amino]-2-methylhexan-1-ol?
The InChIKey is OYECVTFOPWRZSY-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H38N6O/c1-4-5-15-30(2,21-37)35-28-26-12-11-23(18-27(26)33-29(31)34-28)25-13-16-32-19-24(25)20-36(3)17-14-22-9-7-6-8-10-22/h6-13,16,18-19,37H,4-5,14-15,17,20-21H2,1-3H3,(H3,31,33,34,35)/t30-/m1/s1.
What are the key properties of (2R)-2-[[2-amino-7-[3-[[methyl(2-phenylethyl)amino]methyl]-4-pyridinyl]quinazolin-4-yl]amino]-2-methylhexan-1-ol?
(2R)-2-[[2-amino-7-[3-[[methyl(2-phenylethyl)amino]methyl]-4-pyridinyl]quinazolin-4-yl]amino]-2-methylhexan-1-ol has a molecular weight of 498.68 g/mol, XLogP of 5.30, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-amino-7-[3-[[methyl(2-phenylethyl)amino]methyl]-4-pyridinyl]quinazolin-4-yl]amino]-2-methylhexan-1-ol is sourced from PubChem (CID 169156285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).