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

C11H13N3OS2 — CID 2917721

IUPACN,6-dimethyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCNC(=O)C1=C(C)NC(=S)NC1c1cccs1
InChIInChI=1S/C11H13N3OS2/c1-6-8(10(15)12-2)9(14-11(16)13-6)7-4-3-5-17-7/h3-5,9H,1-2H3,(H,12,15)(H2,13,14,16)
InChIKeyOFTBUODXSAYZRC-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.29
Rot. Bonds2

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

N,6-dimethyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 2917721) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N,6-dimethyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID2917721
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC NameN,6-dimethyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCNC(=O)C1=C(C)NC(=S)NC1c1cccs1
InChIInChI=1S/C11H13N3OS2/c1-6-8(10(15)12-2)9(14-11(16)13-6)7-4-3-5-17-7/h3-5,9H,1-2H3,(H,12,15)(H2,13,14,16)
InChIKeyOFTBUODXSAYZRC-UHFFFAOYSA-N
XLogP1.29
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
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-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
Methyl 6-methyl-4-(thiophen-2-yl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2815068
6-methyl-5-(1-piperidinylcarbonyl)-4-(2-thienyl)-3,4-dihydro-2(1H)-pyrimidinone
CID 2886110

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N,6-dimethyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 2917721) is N,6-dimethyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N,6-dimethyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N,6-dimethyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide is CNC(=O)C1=C(C)NC(=S)NC1c1cccs1.
What is the InChIKey of N,6-dimethyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is OFTBUODXSAYZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-6-8(10(15)12-2)9(14-11(16)13-6)7-4-3-5-17-7/h3-5,9H,1-2H3,(H,12,15)(H2,13,14,16).
What are the key properties of N,6-dimethyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
N,6-dimethyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 267.38 g/mol, XLogP of 1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 2917721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).