methyl 2-amino-4-[[(2S)-1-hydroxypentan-2-yl]amino]quinazoline-7-carboxylate

C15H20N4O3 — CID 71041916

IUPACmethyl 2-amino-4-[[(2S)-1-hydroxypentan-2-yl]amino]quinazoline-7-carboxylate
SMILESCCC[C@@H](CO)Nc1nc(N)nc2cc(C(=O)OC)ccc12
InChIInChI=1S/C15H20N4O3/c1-3-4-10(8-20)17-13-11-6-5-9(14(21)22-2)7-12(11)18-15(16)19-13/h5-7,10,20H,3-4,8H2,1-2H3,(H3,16,17,18,19)/t10-/m0/s1
InChIKeyPAPYBPHMSZNPHK-JTQLQIEISA-N
MW304.35 g/mol
LogP1.57
Rot. Bonds6

About methyl 2-amino-4-[[(2S)-1-hydroxypentan-2-yl]amino]quinazoline-7-carboxylate

methyl 2-amino-4-[[(2S)-1-hydroxypentan-2-yl]amino]quinazoline-7-carboxylate (PubChem CID 71041916) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is methyl 2-amino-4-[[(2S)-1-hydroxypentan-2-yl]amino]quinazoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-[[(2S)-1-hydroxypentan-2-yl]amino]quinazoline-7-carboxylate
PubChem CID71041916
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Namemethyl 2-amino-4-[[(2S)-1-hydroxypentan-2-yl]amino]quinazoline-7-carboxylate
SMILESCCC[C@@H](CO)Nc1nc(N)nc2cc(C(=O)OC)ccc12
InChIInChI=1S/C15H20N4O3/c1-3-4-10(8-20)17-13-11-6-5-9(14(21)22-2)7-12(11)18-15(16)19-13/h5-7,10,20H,3-4,8H2,1-2H3,(H3,16,17,18,19)/t10-/m0/s1
InChIKeyPAPYBPHMSZNPHK-JTQLQIEISA-N
XLogP1.57
TPSA110.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 2-amino-4-[[(2S)-1-hydroxypentan-2-yl]amino]quinazoline-7-carboxylate with MolForge

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Related Compounds

(2R)-2-[(2-amino-7-ethoxyquinazolin-4-yl)amino]hexan-1-ol
CID 157344193
[2-amino-4-(butylamino)quinazolin-7-yl]methanol;methane;methyl 2-amino-4-(butylamino)quinazoline-7-carboxylate
CID 161054075
2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 122585046
(2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 122598706
(2S)-2-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol
CID 71041915
2-[(2-amino-5-fluoroquinazolin-4-yl)amino]pentan-1-ol
CID 167045236
(2S)-2-[(2-amino-8-methylquinazolin-4-yl)amino]pentan-1-ol
CID 71041909
methyl 2-[4-[[2-amino-4-(1-hydroxypentan-2-ylamino)-6-methylpyrimidin-5-yl]methyl]phenyl]acetate
CID 74821185
(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 122585335
methyl 2-[4-[[2-amino-4-[[(2S)-1-hydroxypentan-2-yl]amino]-6-methylpyrimidin-5-yl]methyl]-3-methoxyphenyl]acetate
CID 42613157
(2S)-2-[(2-amino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 129103735
(2S)-2-[(2-amino-5-phenylmethoxypyrimidin-4-yl)amino]pentan-1-ol
CID 70856450

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-[[(2S)-1-hydroxypentan-2-yl]amino]quinazoline-7-carboxylate?
The IUPAC name of methyl 2-amino-4-[[(2S)-1-hydroxypentan-2-yl]amino]quinazoline-7-carboxylate (CID 71041916) is methyl 2-amino-4-[[(2S)-1-hydroxypentan-2-yl]amino]quinazoline-7-carboxylate.
What is the SMILES notation for methyl 2-amino-4-[[(2S)-1-hydroxypentan-2-yl]amino]quinazoline-7-carboxylate?
The canonical SMILES for methyl 2-amino-4-[[(2S)-1-hydroxypentan-2-yl]amino]quinazoline-7-carboxylate is CCC[C@@H](CO)Nc1nc(N)nc2cc(C(=O)OC)ccc12.
What is the InChIKey of methyl 2-amino-4-[[(2S)-1-hydroxypentan-2-yl]amino]quinazoline-7-carboxylate?
The InChIKey is PAPYBPHMSZNPHK-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20N4O3/c1-3-4-10(8-20)17-13-11-6-5-9(14(21)22-2)7-12(11)18-15(16)19-13/h5-7,10,20H,3-4,8H2,1-2H3,(H3,16,17,18,19)/t10-/m0/s1.
What are the key properties of methyl 2-amino-4-[[(2S)-1-hydroxypentan-2-yl]amino]quinazoline-7-carboxylate?
methyl 2-amino-4-[[(2S)-1-hydroxypentan-2-yl]amino]quinazoline-7-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-[[(2S)-1-hydroxypentan-2-yl]amino]quinazoline-7-carboxylate is sourced from PubChem (CID 71041916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).