3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide

C14H19N5OS — CID 47038591

IUPAC3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
SMILESCSc1nc(C)c(CCC(=O)Nc2cc(C)[nH]n2)c(C)n1
InChIInChI=1S/C14H19N5OS/c1-8-7-12(19-18-8)17-13(20)6-5-11-9(2)15-14(21-4)16-10(11)3/h7H,5-6H2,1-4H3,(H2,17,18,19,20)
InChIKeyDWLCJJYEXMFJKH-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.42
Rot. Bonds5

About 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide (PubChem CID 47038591) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
PubChem CID47038591
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
SMILESCSc1nc(C)c(CCC(=O)Nc2cc(C)[nH]n2)c(C)n1
InChIInChI=1S/C14H19N5OS/c1-8-7-12(19-18-8)17-13(20)6-5-11-9(2)15-14(21-4)16-10(11)3/h7H,5-6H2,1-4H3,(H2,17,18,19,20)
InChIKeyDWLCJJYEXMFJKH-UHFFFAOYSA-N
XLogP2.42
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-ethylpropanamide
CID 51204837
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-ethoxyphenyl)propanamide
CID 7667879
3-(4-ethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 47215997
3-(4-hydroxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 110483845
5,7-dimethyl-6-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56797134
N-[3-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 39131647
2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-N-ethylbenzamide
CID 35305549
3-(2-hydroxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 47215990
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]propanamide
CID 46598990
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
CID 32866868
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 30184017
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 46692783

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide (CID 47038591) is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide is CSc1nc(C)c(CCC(=O)Nc2cc(C)[nH]n2)c(C)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is DWLCJJYEXMFJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-8-7-12(19-18-8)17-13(20)6-5-11-9(2)15-14(21-4)16-10(11)3/h7H,5-6H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 305.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 47038591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).