N,N-diethyl-6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide

C14H19N3O2S — CID 162643821

IUPACN,N-diethyl-6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)NC(=O)NC1c1ccsc1
InChIInChI=1S/C14H19N3O2S/c1-4-17(5-2)13(18)11-9(3)15-14(19)16-12(11)10-6-7-20-8-10/h6-8,12H,4-5H2,1-3H3,(H2,15,16,19)
InChIKeyZRARZJNIJDOIHO-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.24
Rot. Bonds4

About N,N-diethyl-6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide

N,N-diethyl-6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 162643821) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N,N-diethyl-6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID162643821
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN,N-diethyl-6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)NC(=O)NC1c1ccsc1
InChIInChI=1S/C14H19N3O2S/c1-4-17(5-2)13(18)11-9(3)15-14(19)16-12(11)10-6-7-20-8-10/h6-8,12H,4-5H2,1-3H3,(H2,15,16,19)
InChIKeyZRARZJNIJDOIHO-UHFFFAOYSA-N
XLogP2.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-4-(4-methyl-2-thienyl)-5-(4-morpholinylcarbonyl)-3,4-dihydro-2(1H)-pyrimidinone
CID 2886444
N,N-diethyl-6-methyl-4-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
CID 2940344
6-Methyl-2-oxo-4-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
CID 2894630
N,N-diethyl-6-methyl-4-(5-methylthiophen-2-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3548254
5-Pyrimidinecarboxamide,1,2,3,4-tetrahydro-N,N,6-trimethyl-2-oxo-4-(2-thienyl)-(9CI)
CID 2925611
(6R)-5-acetyl-3-benzyl-4-methyl-6-thiophen-2-yl-1,6-dihydropyrimidin-2-one
CID 9548422
(6R)-5-acetyl-3-ethyl-4-methyl-6-thiophen-2-yl-1,6-dihydropyrimidin-2-one
CID 16745549
N-benzyl-6-methyl-4-(2-thienyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
CID 2947783
1-butyl-N,N,6-trimethyl-2-oxo-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3,4-dihydropyridine-5-carboxamide
CID 46902846
6-methyl-5-(3-methylbutanoyl)-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 162677251
Methyl 6-methyl-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 619850
6-Methyl-5-(piperidine-1-carbonyl)-4-(thiophen-2-yl)-3,4-dihydropyrimidin-2(1H)-one
CID 2886110

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N,N-diethyl-6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 162643821) is N,N-diethyl-6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N,N-diethyl-6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N,N-diethyl-6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide is CCN(CC)C(=O)C1=C(C)NC(=O)NC1c1ccsc1.
What is the InChIKey of N,N-diethyl-6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is ZRARZJNIJDOIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-4-17(5-2)13(18)11-9(3)15-14(19)16-12(11)10-6-7-20-8-10/h6-8,12H,4-5H2,1-3H3,(H2,15,16,19).
What are the key properties of N,N-diethyl-6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
N,N-diethyl-6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-methyl-2-oxo-4-thiophen-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 162643821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).