5-benzyl-2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one

C23H23N5O2 — CID 135602403

IUPAC5-benzyl-2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
SMILESCCOc1cccc2c(C)nc(Nc3nc(C)c(Cc4ccccc4)c(=O)[nH]3)nc12
InChIInChI=1S/C23H23N5O2/c1-4-30-19-12-8-11-17-14(2)24-22(26-20(17)19)28-23-25-15(3)18(21(29)27-23)13-16-9-6-5-7-10-16/h5-12H,4,13H2,1-3H3,(H2,24,25,26,27,28,29)
InChIKeyHIGPXTBZKTZXPF-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.06
Rot. Bonds6

About 5-benzyl-2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one

5-benzyl-2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135602403) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 5-benzyl-2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-benzyl-2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
PubChem CID135602403
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name5-benzyl-2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
SMILESCCOc1cccc2c(C)nc(Nc3nc(C)c(Cc4ccccc4)c(=O)[nH]3)nc12
InChIInChI=1S/C23H23N5O2/c1-4-30-19-12-8-11-17-14(2)24-22(26-20(17)19)28-23-25-15(3)18(21(29)27-23)13-16-9-6-5-7-10-16/h5-12H,4,13H2,1-3H3,(H2,24,25,26,27,28,29)
InChIKeyHIGPXTBZKTZXPF-UHFFFAOYSA-N
XLogP4.06
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one
CID 135762523
5-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135659146
2-anilino-5-benzyl-4-methyl-1H-pyrimidin-6-one
CID 135645206
methyl 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxylate
CID 17228548
5-benzyl-2-(4-fluoroanilino)-4-methyl-1H-pyrimidin-6-one
CID 135633224
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
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-(2-phenylethyl)-1H-pyrimidin-6-one
CID 135882024
2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrimidin-6-one
CID 135996088
5-[(3-chlorophenyl)methyl]-2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135882001
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 135882008
1-[2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone
CID 16584499

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-benzyl-2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one (CID 135602403) is 5-benzyl-2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-benzyl-2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-benzyl-2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one is CCOc1cccc2c(C)nc(Nc3nc(C)c(Cc4ccccc4)c(=O)[nH]3)nc12.
What is the InChIKey of 5-benzyl-2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is HIGPXTBZKTZXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-4-30-19-12-8-11-17-14(2)24-22(26-20(17)19)28-23-25-15(3)18(21(29)27-23)13-16-9-6-5-7-10-16/h5-12H,4,13H2,1-3H3,(H2,24,25,26,27,28,29).
What are the key properties of 5-benzyl-2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one?
5-benzyl-2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 401.47 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135602403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).