N-[2-(hydroxymethyl)phenyl]-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide

C15H17N3O2S — CID 61497884

IUPACN-[2-(hydroxymethyl)phenyl]-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(C)nc(C)c1C(=O)Nc1ccccc1CO
InChIInChI=1S/C15H17N3O2S/c1-9-13(15(21-3)17-10(2)16-9)14(20)18-12-7-5-4-6-11(12)8-19/h4-7,19H,8H2,1-3H3,(H,18,20)
InChIKeyFEJIGAXLCZDVMN-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.56
Rot. Bonds4

About N-[2-(hydroxymethyl)phenyl]-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide

N-[2-(hydroxymethyl)phenyl]-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 61497884) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)phenyl]-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)phenyl]-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
PubChem CID61497884
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[2-(hydroxymethyl)phenyl]-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(C)nc(C)c1C(=O)Nc1ccccc1CO
InChIInChI=1S/C15H17N3O2S/c1-9-13(15(21-3)17-10(2)16-9)14(20)18-12-7-5-4-6-11(12)8-19/h4-7,19H,8H2,1-3H3,(H,18,20)
InChIKeyFEJIGAXLCZDVMN-UHFFFAOYSA-N
XLogP2.56
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110857760
2,6-difluoro-N-[2-(hydroxymethyl)phenyl]-3-methylbenzamide
CID 82815708
2,4,6-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 65100177
N-(2-bromophenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110862839
3-fluoro-N-[2-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 60682262
3-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-2-methylpropanoic acid
CID 62676218
ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
2,4-dimethyl-6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidine-5-carboxamide
CID 61284718
2,4-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-methylsulfanylpyrimidine-5-carboxamide
CID 61022737
methyl 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylate
CID 112725166
2,3,4-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 79749595

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)phenyl]-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)phenyl]-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide (CID 61497884) is N-[2-(hydroxymethyl)phenyl]-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)phenyl]-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)phenyl]-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide is CSc1nc(C)nc(C)c1C(=O)Nc1ccccc1CO.
What is the InChIKey of N-[2-(hydroxymethyl)phenyl]-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is FEJIGAXLCZDVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-9-13(15(21-3)17-10(2)16-9)14(20)18-12-7-5-4-6-11(12)8-19/h4-7,19H,8H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(hydroxymethyl)phenyl]-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide?
N-[2-(hydroxymethyl)phenyl]-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)phenyl]-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 61497884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).