methyl 2-[(5S)-2-[(4,8-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]acetate

C17H19N5O3 — CID 30466131

IUPACmethyl 2-[(5S)-2-[(4,8-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]acetate
SMILESCOC(=O)C[C@H]1CN=C(Nc2nc(C)c3cccc(C)c3n2)NC1=O
InChIInChI=1S/C17H19N5O3/c1-9-5-4-6-12-10(2)19-17(20-14(9)12)22-16-18-8-11(15(24)21-16)7-13(23)25-3/h4-6,11H,7-8H2,1-3H3,(H2,18,19,20,21,22,24)/t11-/m0/s1
InChIKeyGUUJVVNMHLIPNL-NSHDSACASA-N
MW341.37 g/mol
LogP1.32
Rot. Bonds3

About methyl 2-[(5S)-2-[(4,8-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]acetate

methyl 2-[(5S)-2-[(4,8-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]acetate (PubChem CID 30466131) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is methyl 2-[(5S)-2-[(4,8-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(5S)-2-[(4,8-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]acetate
PubChem CID30466131
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Namemethyl 2-[(5S)-2-[(4,8-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]acetate
SMILESCOC(=O)C[C@H]1CN=C(Nc2nc(C)c3cccc(C)c3n2)NC1=O
InChIInChI=1S/C17H19N5O3/c1-9-5-4-6-12-10(2)19-17(20-14(9)12)22-16-18-8-11(15(24)21-16)7-13(23)25-3/h4-6,11H,7-8H2,1-3H3,(H2,18,19,20,21,22,24)/t11-/m0/s1
InChIKeyGUUJVVNMHLIPNL-NSHDSACASA-N
XLogP1.32
TPSA105.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(5S)-2-[(4,8-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[(5R)-6-oxo-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-4,5-dihydro-1H-pyrimidin-5-yl]acetate
CID 30466117
4,8-dimethyl-N-(3-propyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)quinazolin-2-amine
CID 17228617
2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
CID 135645257
2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
CID 135467306
4-(2-chlorophenyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135645110
2-[(4,8-dimethylquinazolin-2-yl)amino]-5-ethyl-6-methyl-1,3-diazinan-4-one
CID 78211521
methyl 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxylate
CID 17228548
2-[(4,8-dimethylquinazolin-2-yl)amino]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 3161010
1-(4,8-dimethylquinazolin-2-yl)ethanone
CID 84775834
6-[(4-chlorophenyl)sulfanylmethyl]-2-[(4,8-dimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one
CID 78214804
(7R)-2-[(4,8-dimethylquinazolin-2-yl)amino]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 1398359
methyl 2-(2,6-dioxopiperidin-3-yl)acetate
CID 138460854

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5S)-2-[(4,8-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]acetate?
The IUPAC name of methyl 2-[(5S)-2-[(4,8-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]acetate (CID 30466131) is methyl 2-[(5S)-2-[(4,8-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]acetate.
What is the SMILES notation for methyl 2-[(5S)-2-[(4,8-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]acetate?
The canonical SMILES for methyl 2-[(5S)-2-[(4,8-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]acetate is COC(=O)C[C@H]1CN=C(Nc2nc(C)c3cccc(C)c3n2)NC1=O.
What is the InChIKey of methyl 2-[(5S)-2-[(4,8-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]acetate?
The InChIKey is GUUJVVNMHLIPNL-NSHDSACASA-N. The full InChI is InChI=1S/C17H19N5O3/c1-9-5-4-6-12-10(2)19-17(20-14(9)12)22-16-18-8-11(15(24)21-16)7-13(23)25-3/h4-6,11H,7-8H2,1-3H3,(H2,18,19,20,21,22,24)/t11-/m0/s1.
What are the key properties of methyl 2-[(5S)-2-[(4,8-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]acetate?
methyl 2-[(5S)-2-[(4,8-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]acetate has a molecular weight of 341.37 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5S)-2-[(4,8-dimethylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]acetate is sourced from PubChem (CID 30466131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).