(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol

C15H22N4O — CID 71041904

IUPAC(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol
SMILESCCC[C@@H](CCO)Nc1nc(N)nc2ccc(C)cc12
InChIInChI=1S/C15H22N4O/c1-3-4-11(7-8-20)17-14-12-9-10(2)5-6-13(12)18-15(16)19-14/h5-6,9,11,20H,3-4,7-8H2,1-2H3,(H3,16,17,18,19)/t11-/m0/s1
InChIKeySDMQBEXUQLADBO-NSHDSACASA-N
MW274.37 g/mol
LogP2.48
Rot. Bonds6

About (3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol

(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol (PubChem CID 71041904) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is (3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol
PubChem CID71041904
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol
SMILESCCC[C@@H](CCO)Nc1nc(N)nc2ccc(C)cc12
InChIInChI=1S/C15H22N4O/c1-3-4-11(7-8-20)17-14-12-9-10(2)5-6-13(12)18-15(16)19-14/h5-6,9,11,20H,3-4,7-8H2,1-2H3,(H3,16,17,18,19)/t11-/m0/s1
InChIKeySDMQBEXUQLADBO-NSHDSACASA-N
XLogP2.48
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

1-{(E)-amino[(4,6-dimethylquinazolin-2-yl)amino]methylidene}-3-cyclohexylurea
CID 135543905
2,4-Diamino-6-methylquinazoline
CID 345652
CID 2971918
CID 2971918
6-Phenylaminomethyl-quinazoline-2,4-diamine
CID 487412
3-[4-(3-Fluoroanilino)quinazolin-6-yl]prop-2-en-1-ol
CID 57339807
3-[(6-Methyl-4-phenyl-2-quinazolinyl)amino]propanoic acid
CID 739852
4-N-benzyl-2-N-butylquinazoline-2,4-diamine
CID 52110748
2-[(4-Phenylquinazolin-2-yl)amino]ethanol
CID 661382
Ethanol, 2-[4-(4-benzylaminoquinazolin-2-yl)piperazin-1-yl]-
CID 1158941
N-Isopropyl-2-phenyl-4-quinazolinamine
CID 719252
2-[(Quinolin-2-yl)amino]ethan-1-ol
CID 593855
2-[[2-(3,4-Dimethylanilino)quinazolin-4-yl]amino]ethanol
CID 2226126

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol?
The IUPAC name of (3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol (CID 71041904) is (3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol.
What is the SMILES notation for (3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol?
The canonical SMILES for (3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol is CCC[C@@H](CCO)Nc1nc(N)nc2ccc(C)cc12.
What is the InChIKey of (3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol?
The InChIKey is SDMQBEXUQLADBO-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-4-11(7-8-20)17-14-12-9-10(2)5-6-13(12)18-15(16)19-14/h5-6,9,11,20H,3-4,7-8H2,1-2H3,(H3,16,17,18,19)/t11-/m0/s1.
What are the key properties of (3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol?
(3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol has a molecular weight of 274.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol is sourced from PubChem (CID 71041904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).