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

C14H19N3OS2 — CID 2940344

IUPACN,N-diethyl-6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)NC(=S)NC1c1cccs1
InChIInChI=1S/C14H19N3OS2/c1-4-17(5-2)13(18)11-9(3)15-14(19)16-12(11)10-7-6-8-20-10/h6-8,12H,4-5H2,1-3H3,(H2,15,16,19)
InChIKeyXDJNQUIEMHZBKI-UHFFFAOYSA-N
MW309.46 g/mol
LogP2.41
Rot. Bonds4

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

N,N-diethyl-6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 2940344) has the molecular formula C14H19N3OS2 and a molecular weight of 309.46 g/mol. Its IUPAC name is N,N-diethyl-6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID2940344
Molecular FormulaC14H19N3OS2
Molecular Weight309.46 g/mol
Exact Mass309.10
IUPAC NameN,N-diethyl-6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)NC(=S)NC1c1cccs1
InChIInChI=1S/C14H19N3OS2/c1-4-17(5-2)13(18)11-9(3)15-14(19)16-12(11)10-7-6-8-20-10/h6-8,12H,4-5H2,1-3H3,(H2,15,16,19)
InChIKeyXDJNQUIEMHZBKI-UHFFFAOYSA-N
XLogP2.41
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-methyl-4-(4-methyl-2-thienyl)-5-(4-morpholinylcarbonyl)-3,4-dihydro-2(1H)-pyrimidinone
CID 2886444
6-Methyl-2-oxo-4-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
CID 2894630
4-Methyl-6-(2-thienyl)-2-thioxo-1,3,6-trihydropyrimidine-5-carboxamide
CID 2894735
N,N-diethyl-6-methyl-4-(5-methylthiophen-2-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3548254
N,N,6-trimethyl-4-(5-methylthiophen-2-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 4029836
5-acetyl-6-methyl-4-(2-thienyl)-3,4-dihydro-2(1H)-pyrimidinone
CID 2837422
5-Pyrimidinecarboxamide,1,2,3,4-tetrahydro-N,N,6-trimethyl-2-oxo-4-(2-thienyl)-(9CI)
CID 2925611
(6R)-5-acetyl-3-(cyclopropylmethyl)-4-methyl-6-thiophen-2-yl-1,6-dihydropyrimidin-2-one
CID 9548399
(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
(6R)-5-acetyl-3-(2-methoxyethyl)-4-methyl-6-thiophen-2-yl-1,6-dihydropyrimidin-2-one
CID 16759626

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N,N-diethyl-6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 2940344) is N,N-diethyl-6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N,N-diethyl-6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N,N-diethyl-6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide is CCN(CC)C(=O)C1=C(C)NC(=S)NC1c1cccs1.
What is the InChIKey of N,N-diethyl-6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is XDJNQUIEMHZBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS2/c1-4-17(5-2)13(18)11-9(3)15-14(19)16-12(11)10-7-6-8-20-10/h6-8,12H,4-5H2,1-3H3,(H2,15,16,19).
What are the key properties of N,N-diethyl-6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
N,N-diethyl-6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 309.46 g/mol, XLogP of 2.41, 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-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 2940344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).