ethyl 3-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoate

C20H23N5O3 — CID 135659118

IUPACethyl 3-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoate
SMILESCCOC(=O)CCc1c(C)nc(Nc2nc(C)c3ccc(C)cc3n2)[nH]c1=O
InChIInChI=1S/C20H23N5O3/c1-5-28-17(26)9-8-15-13(4)22-20(24-18(15)27)25-19-21-12(3)14-7-6-11(2)10-16(14)23-19/h6-7,10H,5,8-9H2,1-4H3,(H2,21,22,23,24,25,27)
InChIKeyRNERNTRROYDXCQ-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.88
Rot. Bonds6

About ethyl 3-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoate

ethyl 3-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoate (PubChem CID 135659118) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is ethyl 3-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoate
PubChem CID135659118
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Nameethyl 3-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoate
SMILESCCOC(=O)CCc1c(C)nc(Nc2nc(C)c3ccc(C)cc3n2)[nH]c1=O
InChIInChI=1S/C20H23N5O3/c1-5-28-17(26)9-8-15-13(4)22-20(24-18(15)27)25-19-21-12(3)14-7-6-11(2)10-16(14)23-19/h6-7,10H,5,8-9H2,1-4H3,(H2,21,22,23,24,25,27)
InChIKeyRNERNTRROYDXCQ-UHFFFAOYSA-N
XLogP2.88
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 3-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoate with MolForge

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Related Compounds

ethyl 3-[2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoate
CID 135659120
5-butyl-2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135602395
2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-5-pentyl-1H-pyrimidin-6-one
CID 135422835
2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 135882011
5-[(3-chlorophenyl)methyl]-2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135882001
5-butyl-4-hydroxy-2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 39739866
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-(2-phenylethyl)-1H-pyrimidin-6-one
CID 135882024
4-methyl-5-prop-2-enyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135602400
5-ethyl-4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135762344
2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-fluorophenyl)-1H-pyrimidin-6-one
CID 135645108
5-(2-hydroxyethyl)-4-methyl-2-(3-methylanilino)-1H-pyrimidin-6-one
CID 135612070
5-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135659146

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoate?
The IUPAC name of ethyl 3-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoate (CID 135659118) is ethyl 3-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoate?
The canonical SMILES for ethyl 3-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoate is CCOC(=O)CCc1c(C)nc(Nc2nc(C)c3ccc(C)cc3n2)[nH]c1=O.
What is the InChIKey of ethyl 3-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoate?
The InChIKey is RNERNTRROYDXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-5-28-17(26)9-8-15-13(4)22-20(24-18(15)27)25-19-21-12(3)14-7-6-11(2)10-16(14)23-19/h6-7,10H,5,8-9H2,1-4H3,(H2,21,22,23,24,25,27).
What are the key properties of ethyl 3-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoate?
ethyl 3-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoate has a molecular weight of 381.44 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoate is sourced from PubChem (CID 135659118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).