(2S)-2-[(2-amino-8-methylquinazolin-4-yl)amino]pentan-1-ol

C14H20N4O — CID 71041909

IUPAC(2S)-2-[(2-amino-8-methylquinazolin-4-yl)amino]pentan-1-ol
SMILESCCC[C@@H](CO)Nc1nc(N)nc2c(C)cccc12
InChIInChI=1S/C14H20N4O/c1-3-5-10(8-19)16-13-11-7-4-6-9(2)12(11)17-14(15)18-13/h4,6-7,10,19H,3,5,8H2,1-2H3,(H3,15,16,17,18)/t10-/m0/s1
InChIKeyVTEVDRYBBVGGDR-JTQLQIEISA-N
MW260.34 g/mol
LogP2.09
Rot. Bonds5

About (2S)-2-[(2-amino-8-methylquinazolin-4-yl)amino]pentan-1-ol

(2S)-2-[(2-amino-8-methylquinazolin-4-yl)amino]pentan-1-ol (PubChem CID 71041909) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (2S)-2-[(2-amino-8-methylquinazolin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2-amino-8-methylquinazolin-4-yl)amino]pentan-1-ol
PubChem CID71041909
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(2S)-2-[(2-amino-8-methylquinazolin-4-yl)amino]pentan-1-ol
SMILESCCC[C@@H](CO)Nc1nc(N)nc2c(C)cccc12
InChIInChI=1S/C14H20N4O/c1-3-5-10(8-19)16-13-11-7-4-6-9(2)12(11)17-14(15)18-13/h4,6-7,10,19H,3,5,8H2,1-2H3,(H3,15,16,17,18)/t10-/m0/s1
InChIKeyVTEVDRYBBVGGDR-JTQLQIEISA-N
XLogP2.09
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(2-amino-8-methylquinazolin-4-yl)amino]pentan-1-ol with MolForge

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Related Compounds

2-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 122585181
2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 122585046
2-[(2-amino-5-fluoroquinazolin-4-yl)amino]pentan-1-ol
CID 167045236
4-N-[(3R)-hexan-3-yl]-5-methylquinazoline-2,4-diamine
CID 71041918
(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 122585335
(2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 121402889
(2S)-2-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol
CID 71041915
methyl 2-amino-4-[[(2S)-1-hydroxypentan-2-yl]amino]quinazoline-7-carboxylate
CID 71041916
2-(2-methylanilino)pentan-1-ol
CID 61045510
(2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 122598706
(2S)-2-[(2-amino-5-phenylmethoxypyrimidin-4-yl)amino]pentan-1-ol
CID 70856450
(3S)-3-[(2-amino-5-benzylpyrimido[5,4-b]indol-4-yl)amino]hexan-1-ol
CID 177265624

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-8-methylquinazolin-4-yl)amino]pentan-1-ol?
The IUPAC name of (2S)-2-[(2-amino-8-methylquinazolin-4-yl)amino]pentan-1-ol (CID 71041909) is (2S)-2-[(2-amino-8-methylquinazolin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for (2S)-2-[(2-amino-8-methylquinazolin-4-yl)amino]pentan-1-ol?
The canonical SMILES for (2S)-2-[(2-amino-8-methylquinazolin-4-yl)amino]pentan-1-ol is CCC[C@@H](CO)Nc1nc(N)nc2c(C)cccc12.
What is the InChIKey of (2S)-2-[(2-amino-8-methylquinazolin-4-yl)amino]pentan-1-ol?
The InChIKey is VTEVDRYBBVGGDR-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-5-10(8-19)16-13-11-7-4-6-9(2)12(11)17-14(15)18-13/h4,6-7,10,19H,3,5,8H2,1-2H3,(H3,15,16,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-[(2-amino-8-methylquinazolin-4-yl)amino]pentan-1-ol?
(2S)-2-[(2-amino-8-methylquinazolin-4-yl)amino]pentan-1-ol has a molecular weight of 260.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-amino-8-methylquinazolin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 71041909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).