2-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-methyl-1H-pyrimidin-6-one

C16H19N3O — CID 136691781

IUPAC2-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccc(N(C)C)cc2)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C16H19N3O/c1-10-14(11-6-8-13(9-7-11)19(2)3)17-15(12-4-5-12)18-16(10)20/h6-9,12H,4-5H2,1-3H3,(H,17,18,20)
InChIKeyADWGNXMWJJTCSJ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.69
Rot. Bonds3

About 2-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-methyl-1H-pyrimidin-6-one

2-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-methyl-1H-pyrimidin-6-one (PubChem CID 136691781) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-methyl-1H-pyrimidin-6-one
PubChem CID136691781
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccc(N(C)C)cc2)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C16H19N3O/c1-10-14(11-6-8-13(9-7-11)19(2)3)17-15(12-4-5-12)18-16(10)20/h6-9,12H,4-5H2,1-3H3,(H,17,18,20)
InChIKeyADWGNXMWJJTCSJ-UHFFFAOYSA-N
XLogP2.69
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-cyclobutylphenyl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one
CID 136770175
2-cyclopropyl-4-(furan-3-yl)-5-methyl-1H-pyrimidin-6-one
CID 136692901
2-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692688
5-cyclopropyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-3-methyl-1H-pyridin-2-one
CID 144545646
3-(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)benzonitrile
CID 136691905
2-cyclopropyl-6-[4-(dimethylamino)phenyl]-1H-pyrimidine-4-thione
CID 106513952
2-cyclopropyl-4-(2,4-dichlorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692866
5-methyl-4-phenyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 136764448
2-cyclopropyl-5-methyl-4-(2-propoxyphenyl)-1H-pyrimidin-6-one
CID 136770122
4-(4-cyclobutylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770174
2-cyclopropyl-4-(3,4-dihydro-2H-chromen-8-yl)-5-methyl-1H-pyrimidin-6-one
CID 136770157
4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 135549350

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-methyl-1H-pyrimidin-6-one (CID 136691781) is 2-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-methyl-1H-pyrimidin-6-one is Cc1c(-c2ccc(N(C)C)cc2)nc(C2CC2)[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-methyl-1H-pyrimidin-6-one?
The InChIKey is ADWGNXMWJJTCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10-14(11-6-8-13(9-7-11)19(2)3)17-15(12-4-5-12)18-16(10)20/h6-9,12H,4-5H2,1-3H3,(H,17,18,20).
What are the key properties of 2-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-methyl-1H-pyrimidin-6-one?
2-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-methyl-1H-pyrimidin-6-one has a molecular weight of 269.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136691781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).