N-[(2-methylpyrimidin-4-yl)methyl]thiomorpholine-3-carboxamide

C11H16N4OS — CID 82908468

IUPACN-[(2-methylpyrimidin-4-yl)methyl]thiomorpholine-3-carboxamide
SMILESCc1nccc(CNC(=O)C2CSCCN2)n1
InChIInChI=1S/C11H16N4OS/c1-8-12-3-2-9(15-8)6-14-11(16)10-7-17-5-4-13-10/h2-3,10,13H,4-7H2,1H3,(H,14,16)
InChIKeyHUYTVJDSSUMTLQ-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.11
Rot. Bonds3

About N-[(2-methylpyrimidin-4-yl)methyl]thiomorpholine-3-carboxamide

N-[(2-methylpyrimidin-4-yl)methyl]thiomorpholine-3-carboxamide (PubChem CID 82908468) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]thiomorpholine-3-carboxamide
PubChem CID82908468
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]thiomorpholine-3-carboxamide
SMILESCc1nccc(CNC(=O)C2CSCCN2)n1
InChIInChI=1S/C11H16N4OS/c1-8-12-3-2-9(15-8)6-14-11(16)10-7-17-5-4-13-10/h2-3,10,13H,4-7H2,1H3,(H,14,16)
InChIKeyHUYTVJDSSUMTLQ-UHFFFAOYSA-N
XLogP0.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 61016722
N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119299728
N-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422864
(3R)-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61165563
N-(1H-imidazol-2-ylmethyl)thiomorpholine-3-carboxamide
CID 82916761
(2R,3S)-2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]morpholine-3-carboxamide
CID 120926840
N-[[4-(dimethylamino)phenyl]methyl]thiomorpholine-3-carboxamide
CID 82909258
N-[(2-methylpyrimidin-4-yl)methyl]-2-piperidin-4-ylacetamide
CID 54910978
N-[(3-bromothiophen-2-yl)methyl]thiomorpholine-3-carboxamide
CID 82916985
cis-(1R,2S)-2-(4-bromophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 94801668
N-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide
CID 82905655
2-methyl-3-[(2-methylpyrimidin-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780826

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]thiomorpholine-3-carboxamide (CID 82908468) is N-[(2-methylpyrimidin-4-yl)methyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]thiomorpholine-3-carboxamide is Cc1nccc(CNC(=O)C2CSCCN2)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]thiomorpholine-3-carboxamide?
The InChIKey is HUYTVJDSSUMTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-8-12-3-2-9(15-8)6-14-11(16)10-7-17-5-4-13-10/h2-3,10,13H,4-7H2,1H3,(H,14,16).
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]thiomorpholine-3-carboxamide?
N-[(2-methylpyrimidin-4-yl)methyl]thiomorpholine-3-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 82908468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).