2,4-dimethyl-6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidine-5-carboxamide

C12H15N5OS — CID 61284718

IUPAC2,4-dimethyl-6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidine-5-carboxamide
SMILESCSc1nc(C)nc(C)c1C(=O)NCc1ccn[nH]1
InChIInChI=1S/C12H15N5OS/c1-7-10(12(19-3)16-8(2)15-7)11(18)13-6-9-4-5-14-17-9/h4-5H,6H2,1-3H3,(H,13,18)(H,14,17)
InChIKeyGZYLXSNWTPBROP-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.47
Rot. Bonds4

About 2,4-dimethyl-6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidine-5-carboxamide

2,4-dimethyl-6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 61284718) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 2,4-dimethyl-6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidine-5-carboxamide
PubChem CID61284718
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name2,4-dimethyl-6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidine-5-carboxamide
SMILESCSc1nc(C)nc(C)c1C(=O)NCc1ccn[nH]1
InChIInChI=1S/C12H15N5OS/c1-7-10(12(19-3)16-8(2)15-7)11(18)13-6-9-4-5-14-17-9/h4-5H,6H2,1-3H3,(H,13,18)(H,14,17)
InChIKeyGZYLXSNWTPBROP-UHFFFAOYSA-N
XLogP1.47
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-methylsulfanylpyrimidine-5-carboxamide
CID 61022737
3,4-dimethyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridazine-5-carboxamide
CID 60975575
2-(1H-pyrazol-5-yl)-N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]acetamide
CID 112528731
2,6-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 113346790
3-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-2-methylpropanoic acid
CID 62676218
N-(3-hydroxy-2-methylpropyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 65037508
4,6-dimethyl-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide
CID 114269658
4-methyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide
CID 79777719
2-methyl-N-(1H-pyrazol-5-ylmethyl)furan-3-carboxamide
CID 47285848
5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazine-2-carboxamide
CID 47285811
N-(5-hydroxy-2,2-dimethylpentyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 103899620
N-(1-hydroxy-2-methylpropan-2-yl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 43500630

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dimethyl-6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidine-5-carboxamide (CID 61284718) is 2,4-dimethyl-6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidine-5-carboxamide is CSc1nc(C)nc(C)c1C(=O)NCc1ccn[nH]1.
What is the InChIKey of 2,4-dimethyl-6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is GZYLXSNWTPBROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-7-10(12(19-3)16-8(2)15-7)11(18)13-6-9-4-5-14-17-9/h4-5H,6H2,1-3H3,(H,13,18)(H,14,17).
What are the key properties of 2,4-dimethyl-6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidine-5-carboxamide?
2,4-dimethyl-6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 61284718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).