1-[2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone

C18H19N5O — CID 941014

IUPAC1-[2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone
SMILESCCc1ccc2nc(Nc3ncc(C(C)=O)c(C)n3)nc(C)c2c1
InChIInChI=1S/C18H19N5O/c1-5-13-6-7-16-14(8-13)10(2)21-18(22-16)23-17-19-9-15(12(4)24)11(3)20-17/h6-9H,5H2,1-4H3,(H,19,20,21,22,23)
InChIKeyDDCFLVDGBLZPSP-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.55
Rot. Bonds4

About 1-[2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone

1-[2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone (PubChem CID 941014) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone
PubChem CID941014
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1-[2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone
SMILESCCc1ccc2nc(Nc3ncc(C(C)=O)c(C)n3)nc(C)c2c1
InChIInChI=1S/C18H19N5O/c1-5-13-6-7-16-14(8-13)10(2)21-18(22-16)23-17-19-9-15(12(4)24)11(3)20-17/h6-9H,5H2,1-4H3,(H,19,20,21,22,23)
InChIKeyDDCFLVDGBLZPSP-UHFFFAOYSA-N
XLogP3.55
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone
CID 16584499
N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-6-ethyl-4-methylquinazolin-2-amine
CID 66503013
(7R)-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 1400850
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135455921
6-ethyl-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine
CID 66502816
1-(2-tert-butyl-6-ethylquinolin-4-yl)ethanone
CID 82448312
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-(2-phenylethyl)-1H-pyrimidin-6-one
CID 135882024
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 135882008
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-N-(4-ethylphenyl)-4-methylpyrimidine-5-carboxamide
CID 16584135
ethyl 2-(3,5-dichloroanilino)-4-methylpyrimidine-5-carboxylate
CID 17121379
1-[2-[(6-fluoro-1H-benzimidazol-2-yl)methylamino]-4-methylpyrimidin-5-yl]ethanone
CID 72885576
4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135894885

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone (CID 941014) is 1-[2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone is CCc1ccc2nc(Nc3ncc(C(C)=O)c(C)n3)nc(C)c2c1.
What is the InChIKey of 1-[2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone?
The InChIKey is DDCFLVDGBLZPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-5-13-6-7-16-14(8-13)10(2)21-18(22-16)23-17-19-9-15(12(4)24)11(3)20-17/h6-9H,5H2,1-4H3,(H,19,20,21,22,23).
What are the key properties of 1-[2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone?
1-[2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone has a molecular weight of 321.38 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone is sourced from PubChem (CID 941014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).