N-(4,6-dimethylpyrimidin-2-yl)thiomorpholine-3-carboxamide

C11H16N4OS — CID 82905664

IUPACN-(4,6-dimethylpyrimidin-2-yl)thiomorpholine-3-carboxamide
SMILESCc1cc(C)nc(NC(=O)C2CSCCN2)n1
InChIInChI=1S/C11H16N4OS/c1-7-5-8(2)14-11(13-7)15-10(16)9-6-17-4-3-12-9/h5,9,12H,3-4,6H2,1-2H3,(H,13,14,15,16)
InChIKeyKXBKTFPNERARAL-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.74
Rot. Bonds2

About N-(4,6-dimethylpyrimidin-2-yl)thiomorpholine-3-carboxamide

N-(4,6-dimethylpyrimidin-2-yl)thiomorpholine-3-carboxamide (PubChem CID 82905664) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)thiomorpholine-3-carboxamide
PubChem CID82905664
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)thiomorpholine-3-carboxamide
SMILESCc1cc(C)nc(NC(=O)C2CSCCN2)n1
InChIInChI=1S/C11H16N4OS/c1-7-5-8(2)14-11(13-7)15-10(16)9-6-17-4-3-12-9/h5,9,12H,3-4,6H2,1-2H3,(H,13,14,15,16)
InChIKeyKXBKTFPNERARAL-UHFFFAOYSA-N
XLogP0.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4,6-dimethylpyrimidin-2-yl)thiomorpholine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(6-methyl-3-pyridinyl)thiomorpholine-3-carboxamide
CID 82917928
N-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide
CID 82905655
N-(3-methylphenyl)thiomorpholine-3-carboxamide
CID 82906077
N-(3,5-dimethoxyphenyl)thiomorpholine-3-carboxamide
CID 82906449
N-(2-chloro-4-methylphenyl)thiomorpholine-3-carboxamide
CID 82906287
N-(3-methyl-4-pyridinyl)thiomorpholine-3-carboxamide
CID 82918036
N-[(5-methylpyrazin-2-yl)methyl]thiomorpholine-3-carboxamide
CID 82908850
N-(5-ethyl-1H-pyrazol-3-yl)thiomorpholine-3-carboxamide
CID 104618060
N-(3,4,5-trimethoxyphenyl)thiomorpholine-3-carboxamide
CID 82906249
N-[4-(carbamoylamino)phenyl]thiomorpholine-3-carboxamide
CID 82909460
N-(3,4-difluorophenyl)thiomorpholine-3-carboxamide
CID 82906459
N-[3-(sulfamoylamino)phenyl]thiomorpholine-3-carboxamide
CID 82908775

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)thiomorpholine-3-carboxamide (CID 82905664) is N-(4,6-dimethylpyrimidin-2-yl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)thiomorpholine-3-carboxamide is Cc1cc(C)nc(NC(=O)C2CSCCN2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)thiomorpholine-3-carboxamide?
The InChIKey is KXBKTFPNERARAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-7-5-8(2)14-11(13-7)15-10(16)9-6-17-4-3-12-9/h5,9,12H,3-4,6H2,1-2H3,(H,13,14,15,16).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)thiomorpholine-3-carboxamide?
N-(4,6-dimethylpyrimidin-2-yl)thiomorpholine-3-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82905664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).