N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyrimidine-5-carboxamide

C10H15N3O2S — CID 104629795

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyrimidine-5-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1cncnc1
InChIInChI=1S/C10H15N3O2S/c1-7(9(5-14)16-2)13-10(15)8-3-11-6-12-4-8/h3-4,6-7,9,14H,5H2,1-2H3,(H,13,15)
InChIKeyMIEQABVTPWEUBX-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.32
Rot. Bonds5

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyrimidine-5-carboxamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyrimidine-5-carboxamide (PubChem CID 104629795) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyrimidine-5-carboxamide
PubChem CID104629795
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyrimidine-5-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1cncnc1
InChIInChI=1S/C10H15N3O2S/c1-7(9(5-14)16-2)13-10(15)8-3-11-6-12-4-8/h3-4,6-7,9,14H,5H2,1-2H3,(H,13,15)
InChIKeyMIEQABVTPWEUBX-UHFFFAOYSA-N
XLogP0.32
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
CID 103801487
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 103798985
2,6-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 103801255
N-(1-hydroxy-3-methylbutan-2-yl)pyrimidine-5-carboxamide
CID 102922170
N-(4-amino-3-methylbutan-2-yl)pyrimidine-5-carboxamide
CID 102922915
N-(1-hydroxy-4-methylpentan-2-yl)pyrimidine-5-carboxamide
CID 104627101
(2R)-2-(pyrimidine-5-carbonylamino)propanoic acid
CID 102921462
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1H-indazole-6-carboxamide
CID 106156100
3-hydroxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylbenzamide
CID 103957572
N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]-3,5-dimethoxy-4-methylbenzamide
CID 97235379
5-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 75384422
2-chloro-6-ethyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 106156530

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyrimidine-5-carboxamide (CID 104629795) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyrimidine-5-carboxamide is CSC(CO)C(C)NC(=O)c1cncnc1.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyrimidine-5-carboxamide?
The InChIKey is MIEQABVTPWEUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-7(9(5-14)16-2)13-10(15)8-3-11-6-12-4-8/h3-4,6-7,9,14H,5H2,1-2H3,(H,13,15).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyrimidine-5-carboxamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyrimidine-5-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 104629795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).