(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol

C15H22N4O — CID 71041917

IUPAC(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol
SMILESCCC[C@@H](CCO)Nc1nc(N)nc2cc(C)ccc12
InChIInChI=1S/C15H22N4O/c1-3-4-11(7-8-20)17-14-12-6-5-10(2)9-13(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
InChIKeyLKSUBTCUGJLEQW-NSHDSACASA-N
MW274.37 g/mol
LogP2.48
Rot. Bonds6

About (3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol

(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol (PubChem CID 71041917) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is (3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol
PubChem CID71041917
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name(3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol
SMILESCCC[C@@H](CCO)Nc1nc(N)nc2cc(C)ccc12
InChIInChI=1S/C15H22N4O/c1-3-4-11(7-8-20)17-14-12-6-5-10(2)9-13(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
InChIKeyLKSUBTCUGJLEQW-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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol?
The IUPAC name of (3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol (CID 71041917) is (3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol.
What is the SMILES notation for (3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol?
The canonical SMILES for (3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol is CCC[C@@H](CCO)Nc1nc(N)nc2cc(C)ccc12.
What is the InChIKey of (3S)-3-[(2-amino-7-methylquinazolin-4-yl)amino]hexan-1-ol?
The InChIKey is LKSUBTCUGJLEQW-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-4-11(7-8-20)17-14-12-6-5-10(2)9-13(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-7-methylquinazolin-4-yl)amino]hexan-1-ol?
(3S)-3-[(2-amino-7-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-7-methylquinazolin-4-yl)amino]hexan-1-ol is sourced from PubChem (CID 71041917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).