(4R)-6-methyl-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide

C17H19N5O3S — CID 136821254

IUPAC(4R)-6-methyl-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCCc2cc(=O)[nH]c(C)n2)[C@H](c2cccs2)NC(=O)N1
InChIInChI=1S/C17H19N5O3S/c1-9-14(15(22-17(25)19-9)12-4-3-7-26-12)16(24)18-6-5-11-8-13(23)21-10(2)20-11/h3-4,7-8,15H,5-6H2,1-2H3,(H,18,24)(H2,19,22,25)(H,20,21,23)/t15-/m0/s1
InChIKeyRABYZUNNUANEOW-HNNXBMFYSA-N
MW373.44 g/mol
LogP1.13
Rot. Bonds5

About (4R)-6-methyl-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4R)-6-methyl-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 136821254) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is (4R)-6-methyl-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4R)-6-methyl-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID136821254
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name(4R)-6-methyl-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCCc2cc(=O)[nH]c(C)n2)[C@H](c2cccs2)NC(=O)N1
InChIInChI=1S/C17H19N5O3S/c1-9-14(15(22-17(25)19-9)12-4-3-7-26-12)16(24)18-6-5-11-8-13(23)21-10(2)20-11/h3-4,7-8,15H,5-6H2,1-2H3,(H,18,24)(H2,19,22,25)(H,20,21,23)/t15-/m0/s1
InChIKeyRABYZUNNUANEOW-HNNXBMFYSA-N
XLogP1.13
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (4R)-6-methyl-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-methyl-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4R)-6-methyl-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 136821254) is (4R)-6-methyl-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4R)-6-methyl-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4R)-6-methyl-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)NCCc2cc(=O)[nH]c(C)n2)[C@H](c2cccs2)NC(=O)N1.
What is the InChIKey of (4R)-6-methyl-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is RABYZUNNUANEOW-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-9-14(15(22-17(25)19-9)12-4-3-7-26-12)16(24)18-6-5-11-8-13(23)21-10(2)20-11/h3-4,7-8,15H,5-6H2,1-2H3,(H,18,24)(H2,19,22,25)(H,20,21,23)/t15-/m0/s1.
What are the key properties of (4R)-6-methyl-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4R)-6-methyl-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 373.44 g/mol, XLogP of 1.13, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-methyl-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 136821254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).