5-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one

C15H24N4O2 — CID 95896274

IUPAC5-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCCC[C@@H]2CCN(C)C)c(=O)[nH]1
InChIInChI=1S/C15H24N4O2/c1-11-16-10-13(14(20)17-11)15(21)19-8-5-4-6-12(19)7-9-18(2)3/h10,12H,4-9H2,1-3H3,(H,16,17,20)/t12-/m1/s1
InChIKeyVMRRJJKYHILIMC-GFCCVEGCSA-N
MW292.38 g/mol
LogP1.02
Rot. Bonds4

About 5-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one

5-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 95896274) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID95896274
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCCC[C@@H]2CCN(C)C)c(=O)[nH]1
InChIInChI=1S/C15H24N4O2/c1-11-16-10-13(14(20)17-11)15(21)19-8-5-4-6-12(19)7-9-18(2)3/h10,12H,4-9H2,1-3H3,(H,16,17,20)/t12-/m1/s1
InChIKeyVMRRJJKYHILIMC-GFCCVEGCSA-N
XLogP1.02
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6,7,8,9-tetrahydro-6-methyl-4-oxo-
CID 118083
4H-Pyrido(1,2-a)pyrimidinium, 6,7,8,9-tetrahydro-3-carbamoyl-1,6-dimethyl-4-oxo-, methyl sulfate
CID 214582
2-methyl-5-(2-oxo-2-{2-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl}ethyl)-4(3H)-pyrimidinone
CID 70711114
4-Oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 13480639
(3S)-1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)piperidine-3-carbonitrile
CID 124906952
1,6-Dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide
CID 214583
2-isopropyl-5-{[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]carbonyl}pyrimidin-4(3H)-one
CID 56872069
(9E)-9-hydrazinylidene-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 13218245
9-hydrazono-6-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidine-3-carboxamide
CID 57197527
1-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide
CID 13480644
5-({2-[2-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 56914559
5-Iodo-2-methyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one
CID 66340494

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one (CID 95896274) is 5-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one is Cc1ncc(C(=O)N2CCCC[C@@H]2CCN(C)C)c(=O)[nH]1.
What is the InChIKey of 5-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is VMRRJJKYHILIMC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11-16-10-13(14(20)17-11)15(21)19-8-5-4-6-12(19)7-9-18(2)3/h10,12H,4-9H2,1-3H3,(H,16,17,20)/t12-/m1/s1.
What are the key properties of 5-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
5-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 292.38 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-[2-(dimethylamino)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 95896274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).