5-ethyl-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one

C17H19N5O2 — CID 135417044

IUPAC5-ethyl-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(Nc2nc(C)c3cc(OC)ccc3n2)[nH]c1=O
InChIInChI=1S/C17H19N5O2/c1-5-12-9(2)18-17(21-15(12)23)22-16-19-10(3)13-8-11(24-4)6-7-14(13)20-16/h6-8H,5H2,1-4H3,(H2,18,19,20,21,22,23)
InChIKeyCTIWUSBXUNSJLU-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.64
Rot. Bonds4

About 5-ethyl-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one

5-ethyl-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135417044) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-ethyl-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
PubChem CID135417044
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name5-ethyl-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(Nc2nc(C)c3cc(OC)ccc3n2)[nH]c1=O
InChIInChI=1S/C17H19N5O2/c1-5-12-9(2)18-17(21-15(12)23)22-16-19-10(3)13-8-11(24-4)6-7-14(13)20-16/h6-8H,5H2,1-4H3,(H2,18,19,20,21,22,23)
InChIKeyCTIWUSBXUNSJLU-UHFFFAOYSA-N
XLogP2.64
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-[(7-Methoxy-4-methylquinazolin-2-yl)amino]-6-phenylpyrimidin-4-ol
CID 135414178
Madrasin
CID 135444382
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
CID 2952997
CID 2952997
6-methoxy-N-phenylquinazolin-4-amine
CID 5328186
2,4-Dicyclohexyl-6-methoxyquinazoline
CID 23640941
N-(8-methoxy-4-methylquinazolin-2-yl)guanidine
CID 2849221
LY-456236
CID 9926998
2-((6-Ethoxy-4-methylquinazolin-2-yl)amino)-6-(4-methoxyphenyl)-5,6-dihydropyrimidin-4(3H)-one
CID 3147411
N-benzyl-6-methoxyquinazolin-4-amine
CID 5328029
2-[(4-methoxy-6-methylquinazolin-2-yl)amino]-1H-quinazolin-4-one
CID 135449223
2-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 3233294

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one (CID 135417044) is 5-ethyl-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one is CCc1c(C)nc(Nc2nc(C)c3cc(OC)ccc3n2)[nH]c1=O.
What is the InChIKey of 5-ethyl-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is CTIWUSBXUNSJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-5-12-9(2)18-17(21-15(12)23)22-16-19-10(3)13-8-11(24-4)6-7-14(13)20-16/h6-8H,5H2,1-4H3,(H2,18,19,20,21,22,23).
What are the key properties of 5-ethyl-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one?
5-ethyl-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 325.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135417044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).