(4R)-6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one

C15H19N3O2S — CID 873615

IUPAC(4R)-6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)N2CCCCC2)[C@H](c2cccs2)NC(=O)N1
InChIInChI=1S/C15H19N3O2S/c1-10-12(14(19)18-7-3-2-4-8-18)13(17-15(20)16-10)11-6-5-9-21-11/h5-6,9,13H,2-4,7-8H2,1H3,(H2,16,17,20)/t13-/m0/s1
InChIKeyLZHIVXLPFINFLB-ZDUSSCGKSA-N
MW305.40 g/mol
LogP2.39
Rot. Bonds2

About (4R)-6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one

(4R)-6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 873615) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is (4R)-6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name(4R)-6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID873615
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name(4R)-6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)N2CCCCC2)[C@H](c2cccs2)NC(=O)N1
InChIInChI=1S/C15H19N3O2S/c1-10-12(14(19)18-7-3-2-4-8-18)13(17-15(20)16-10)11-6-5-9-21-11/h5-6,9,13H,2-4,7-8H2,1H3,(H2,16,17,20)/t13-/m0/s1
InChIKeyLZHIVXLPFINFLB-ZDUSSCGKSA-N
XLogP2.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of (4R)-6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one (CID 873615) is (4R)-6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for (4R)-6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for (4R)-6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one is CC1=C(C(=O)N2CCCCC2)[C@H](c2cccs2)NC(=O)N1.
What is the InChIKey of (4R)-6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is LZHIVXLPFINFLB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-12(14(19)18-7-3-2-4-8-18)13(17-15(20)16-10)11-6-5-9-21-11/h5-6,9,13H,2-4,7-8H2,1H3,(H2,16,17,20)/t13-/m0/s1.
What are the key properties of (4R)-6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
(4R)-6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 305.40 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 873615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).