N-methyl-2-methylsulfanyl-4-phenylpyrimidin-5-amine

C12H13N3S — CID 141028428

IUPACN-methyl-2-methylsulfanyl-4-phenylpyrimidin-5-amine
SMILESCNc1cnc(SC)nc1-c1ccccc1
InChIInChI=1S/C12H13N3S/c1-13-10-8-14-12(16-2)15-11(10)9-6-4-3-5-7-9/h3-8,13H,1-2H3
InChIKeyAKFNKBNGEGSWQC-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.91
Rot. Bonds3

About N-methyl-2-methylsulfanyl-4-phenylpyrimidin-5-amine

N-methyl-2-methylsulfanyl-4-phenylpyrimidin-5-amine (PubChem CID 141028428) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-4-phenylpyrimidin-5-amine.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-4-phenylpyrimidin-5-amine
PubChem CID141028428
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC NameN-methyl-2-methylsulfanyl-4-phenylpyrimidin-5-amine
SMILESCNc1cnc(SC)nc1-c1ccccc1
InChIInChI=1S/C12H13N3S/c1-13-10-8-14-12(16-2)15-11(10)9-6-4-3-5-7-9/h3-8,13H,1-2H3
InChIKeyAKFNKBNGEGSWQC-UHFFFAOYSA-N
XLogP2.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(2-methylphenyl)-2-methylsulfanylpyrimidin-5-amine
CID 23512569
2-methylsulfanyl-4-phenyl-5-(trifluoromethyl)pyrimidine
CID 71232496
3-methylsulfanyl-5-(3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-yl)-6-phenyl-1,2,4-triazine
CID 15564624
N-methyl-4-(2-methylphenoxy)-2-methylsulfanylpyrimidin-5-amine
CID 22674310
N-(2,5-dimethoxyphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide
CID 20913648
N-[2-(dimethylamino)ethyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide
CID 20913631
6-methylsulfanyl-1,3-diphenylpyrazolo[3,4-d]pyrimidine
CID 171099009
5-[(benzylamino)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 171500496
5-fluoro-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 21077592
5-fluoro-N-methyl-6-phenylpyridin-3-amine
CID 146930379
5-[imidazol-1-yl(phenyl)methyl]-2-methylsulfanyl-4-phenylpyrimidine
CID 508517
N-(2-ethyl-6-methylphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide
CID 20913659

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanyl-4-phenylpyrimidin-5-amine?
The IUPAC name of N-methyl-2-methylsulfanyl-4-phenylpyrimidin-5-amine (CID 141028428) is N-methyl-2-methylsulfanyl-4-phenylpyrimidin-5-amine.
What is the SMILES notation for N-methyl-2-methylsulfanyl-4-phenylpyrimidin-5-amine?
The canonical SMILES for N-methyl-2-methylsulfanyl-4-phenylpyrimidin-5-amine is CNc1cnc(SC)nc1-c1ccccc1.
What is the InChIKey of N-methyl-2-methylsulfanyl-4-phenylpyrimidin-5-amine?
The InChIKey is AKFNKBNGEGSWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-13-10-8-14-12(16-2)15-11(10)9-6-4-3-5-7-9/h3-8,13H,1-2H3.
What are the key properties of N-methyl-2-methylsulfanyl-4-phenylpyrimidin-5-amine?
N-methyl-2-methylsulfanyl-4-phenylpyrimidin-5-amine has a molecular weight of 231.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-4-phenylpyrimidin-5-amine is sourced from PubChem (CID 141028428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).