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

C13H18N4O2S — CID 56722453

IUPACN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCc1csc(CNC(=O)C2=C(C)NC(=O)NC2C)n1
InChIInChI=1S/C13H18N4O2S/c1-4-9-6-20-10(17-9)5-14-12(18)11-7(2)15-13(19)16-8(11)3/h6-7H,4-5H2,1-3H3,(H,14,18)(H2,15,16,19)
InChIKeyVNEAHBAKGWIATP-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.30
Rot. Bonds4

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

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 56722453) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID56722453
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCc1csc(CNC(=O)C2=C(C)NC(=O)NC2C)n1
InChIInChI=1S/C13H18N4O2S/c1-4-9-6-20-10(17-9)5-14-12(18)11-7(2)15-13(19)16-8(11)3/h6-7H,4-5H2,1-3H3,(H,14,18)(H2,15,16,19)
InChIKeyVNEAHBAKGWIATP-UHFFFAOYSA-N
XLogP1.30
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 56722453) is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CCc1csc(CNC(=O)C2=C(C)NC(=O)NC2C)n1.
What is the InChIKey of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is VNEAHBAKGWIATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-4-9-6-20-10(17-9)5-14-12(18)11-7(2)15-13(19)16-8(11)3/h6-7H,4-5H2,1-3H3,(H,14,18)(H2,15,16,19).
What are the key properties of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 56722453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).