(4R)-4-methyl-2-(1-methylpiperidin-2-yl)-4,5-dihydro-1H-pyrimidin-6-one

C11H19N3O — CID 90089630

IUPAC(4R)-4-methyl-2-(1-methylpiperidin-2-yl)-4,5-dihydro-1H-pyrimidin-6-one
SMILESC[C@@H]1CC(=O)NC(C2CCCCN2C)=N1
InChIInChI=1S/C11H19N3O/c1-8-7-10(15)13-11(12-8)9-5-3-4-6-14(9)2/h8-9H,3-7H2,1-2H3,(H,12,13,15)/t8-,9?/m1/s1
InChIKeyWEDQPMCQEGXHBQ-VEDVMXKPSA-N
MW209.29 g/mol
LogP0.78
Rot. Bonds1

About (4R)-4-methyl-2-(1-methylpiperidin-2-yl)-4,5-dihydro-1H-pyrimidin-6-one

(4R)-4-methyl-2-(1-methylpiperidin-2-yl)-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 90089630) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (4R)-4-methyl-2-(1-methylpiperidin-2-yl)-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name(4R)-4-methyl-2-(1-methylpiperidin-2-yl)-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID90089630
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(4R)-4-methyl-2-(1-methylpiperidin-2-yl)-4,5-dihydro-1H-pyrimidin-6-one
SMILESC[C@@H]1CC(=O)NC(C2CCCCN2C)=N1
InChIInChI=1S/C11H19N3O/c1-8-7-10(15)13-11(12-8)9-5-3-4-6-14(9)2/h8-9H,3-7H2,1-2H3,(H,12,13,15)/t8-,9?/m1/s1
InChIKeyWEDQPMCQEGXHBQ-VEDVMXKPSA-N
XLogP0.78
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(1-piperazin-1-ylpropyl)-1H-pyrimidine-4,6-dione
CID 80550838
5-fluoro-2-piperidin-2-yl-1H-pyrimidine-4,6-dione
CID 80550852
5-fluoro-2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione
CID 80550894
N'-(1-butanoylpiperidin-3-yl)ethanimidamide
CID 53767329
2-methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4H-imidazol-1-id-5-one;rubidium(1+)
CID 59279730
2-Methyl-4-[[(1-methylpiperidin-4-yl)amino]methyl]-1,4-dihydroimidazol-5-one
CID 59279731
2-piperidin-2-yl-1H-pyrimidine-4,6-dione
CID 79501539
2-ethyl-8-methyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one
CID 118971895
2,8-diethyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one
CID 118971899
4-methyl-2-(1-methylpiperidin-2-yl)-4,5-dihydro-1H-pyrimidin-6-one
CID 123442516
ethane;2-methyl-4-(piperidin-1-ylmethyl)-4,5-dihydro-1H-pyrimidin-6-one
CID 141822343
1,2-Dimethyl-4-(piperazin-1-ylmethyl)-4,5-dihydropyrimidin-6-one
CID 141822353

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-2-(1-methylpiperidin-2-yl)-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of (4R)-4-methyl-2-(1-methylpiperidin-2-yl)-4,5-dihydro-1H-pyrimidin-6-one (CID 90089630) is (4R)-4-methyl-2-(1-methylpiperidin-2-yl)-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for (4R)-4-methyl-2-(1-methylpiperidin-2-yl)-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for (4R)-4-methyl-2-(1-methylpiperidin-2-yl)-4,5-dihydro-1H-pyrimidin-6-one is C[C@@H]1CC(=O)NC(C2CCCCN2C)=N1.
What is the InChIKey of (4R)-4-methyl-2-(1-methylpiperidin-2-yl)-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is WEDQPMCQEGXHBQ-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-7-10(15)13-11(12-8)9-5-3-4-6-14(9)2/h8-9H,3-7H2,1-2H3,(H,12,13,15)/t8-,9?/m1/s1.
What are the key properties of (4R)-4-methyl-2-(1-methylpiperidin-2-yl)-4,5-dihydro-1H-pyrimidin-6-one?
(4R)-4-methyl-2-(1-methylpiperidin-2-yl)-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 209.29 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-2-(1-methylpiperidin-2-yl)-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 90089630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).