(4R)-4,6-dimethyl-2-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide

C13H19N5O2S — CID 95226532

IUPAC(4R)-4,6-dimethyl-2-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCc2snnc2C(C)C)[C@@H](C)NC(=O)N1
InChIInChI=1S/C13H19N5O2S/c1-6(2)11-9(21-18-17-11)5-14-12(19)10-7(3)15-13(20)16-8(10)4/h6-7H,5H2,1-4H3,(H,14,19)(H2,15,16,20)/t7-/m1/s1
InChIKeyLGFBAMGCIBZWJJ-SSDOTTSWSA-N
MW309.40 g/mol
LogP1.25
Rot. Bonds4

About (4R)-4,6-dimethyl-2-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4R)-4,6-dimethyl-2-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 95226532) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is (4R)-4,6-dimethyl-2-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4R)-4,6-dimethyl-2-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID95226532
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name(4R)-4,6-dimethyl-2-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCc2snnc2C(C)C)[C@@H](C)NC(=O)N1
InChIInChI=1S/C13H19N5O2S/c1-6(2)11-9(21-18-17-11)5-14-12(19)10-7(3)15-13(20)16-8(10)4/h6-7H,5H2,1-4H3,(H,14,19)(H2,15,16,20)/t7-/m1/s1
InChIKeyLGFBAMGCIBZWJJ-SSDOTTSWSA-N
XLogP1.25
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4,6-dimethyl-2-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4R)-4,6-dimethyl-2-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 95226532) is (4R)-4,6-dimethyl-2-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4R)-4,6-dimethyl-2-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4R)-4,6-dimethyl-2-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)NCc2snnc2C(C)C)[C@@H](C)NC(=O)N1.
What is the InChIKey of (4R)-4,6-dimethyl-2-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is LGFBAMGCIBZWJJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-6(2)11-9(21-18-17-11)5-14-12(19)10-7(3)15-13(20)16-8(10)4/h6-7H,5H2,1-4H3,(H,14,19)(H2,15,16,20)/t7-/m1/s1.
What are the key properties of (4R)-4,6-dimethyl-2-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4R)-4,6-dimethyl-2-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 309.40 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4,6-dimethyl-2-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 95226532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).