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

C18H19N5O2 — CID 135645254

IUPAC2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
SMILESC=CCc1c(C)nc(Nc2nc(C)c3cc(OC)ccc3n2)[nH]c1=O
InChIInChI=1S/C18H19N5O2/c1-5-6-13-10(2)19-18(22-16(13)24)23-17-20-11(3)14-9-12(25-4)7-8-15(14)21-17/h5,7-9H,1,6H2,2-4H3,(H2,19,20,21,22,23,24)
InChIKeyGEOQJVVVLWEPEF-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.81
Rot. Bonds5

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

2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one (PubChem CID 135645254) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
PubChem CID135645254
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
SMILESC=CCc1c(C)nc(Nc2nc(C)c3cc(OC)ccc3n2)[nH]c1=O
InChIInChI=1S/C18H19N5O2/c1-5-6-13-10(2)19-18(22-16(13)24)23-17-20-11(3)14-9-12(25-4)7-8-15(14)21-17/h5,7-9H,1,6H2,2-4H3,(H2,19,20,21,22,23,24)
InChIKeyGEOQJVVVLWEPEF-UHFFFAOYSA-N
XLogP2.81
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methyl-5-prop-2-enyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135602400
6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135448199
2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
CID 135645257
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-8-methyl-3H-quinazolin-4-one
CID 135440093
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135435517
5-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135659146
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
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
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-(2-methoxyphenyl)-1H-pyrimidin-6-one
CID 135645112
ethyl 3-[2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoate
CID 135659120

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one (CID 135645254) is 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one is C=CCc1c(C)nc(Nc2nc(C)c3cc(OC)ccc3n2)[nH]c1=O.
What is the InChIKey of 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one?
The InChIKey is GEOQJVVVLWEPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-5-6-13-10(2)19-18(22-16(13)24)23-17-20-11(3)14-9-12(25-4)7-8-15(14)21-17/h5,7-9H,1,6H2,2-4H3,(H2,19,20,21,22,23,24).
What are the key properties of 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one?
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one has a molecular weight of 337.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135645254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).