2-amino-4-(2-methoxyphenyl)-6-methylsulfanylpyrimidine-5-carbonitrile

C13H12N4OS — CID 18507388

IUPAC2-amino-4-(2-methoxyphenyl)-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCOc1ccccc1-c1nc(N)nc(SC)c1C#N
InChIInChI=1S/C13H12N4OS/c1-18-10-6-4-3-5-8(10)11-9(7-14)12(19-2)17-13(15)16-11/h3-6H,1-2H3,(H2,15,16,17)
InChIKeyUXDXNRNEWNXXMI-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.33
Rot. Bonds3

About 2-amino-4-(2-methoxyphenyl)-6-methylsulfanylpyrimidine-5-carbonitrile

2-amino-4-(2-methoxyphenyl)-6-methylsulfanylpyrimidine-5-carbonitrile (PubChem CID 18507388) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-amino-4-(2-methoxyphenyl)-6-methylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-methoxyphenyl)-6-methylsulfanylpyrimidine-5-carbonitrile
PubChem CID18507388
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name2-amino-4-(2-methoxyphenyl)-6-methylsulfanylpyrimidine-5-carbonitrile
SMILESCOc1ccccc1-c1nc(N)nc(SC)c1C#N
InChIInChI=1S/C13H12N4OS/c1-18-10-6-4-3-5-8(10)11-9(7-14)12(19-2)17-13(15)16-11/h3-6H,1-2H3,(H2,15,16,17)
InChIKeyUXDXNRNEWNXXMI-UHFFFAOYSA-N
XLogP2.33
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-diamino-6-(4-methoxynaphthalen-1-yl)pyrimidine-5-carbonitrile
CID 169396208
2,4-diamino-6-methylsulfanylpyrimidine-5-carbonitrile
CID 16795548
2,4-diamino-6-[2-[(3-methoxyphenyl)methoxy]phenyl]pyrimidine-5-carbonitrile
CID 169397344
4-(2-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile
CID 3721414
2-amino-6-(3-chlorophenyl)-4-(2-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3322467
2,4-diamino-6-(2-hexoxyphenyl)pyrimidine-5-carbonitrile
CID 169397618
2,4-diamino-6-(2-phenylmethoxyphenyl)pyrimidine-5-carbonitrile
CID 169396055
6-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 15764367
2,3-diamino-6-(2-methoxyphenyl)benzonitrile
CID 25241803
2,4-diamino-6-[2-(cyclopropylmethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169396461
2,4-diamino-6-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169398772
2,4-diamino-6-(2-pyridin-3-yloxyphenyl)pyrimidine-5-carbonitrile
CID 169397318

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methoxyphenyl)-6-methylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-(2-methoxyphenyl)-6-methylsulfanylpyrimidine-5-carbonitrile (CID 18507388) is 2-amino-4-(2-methoxyphenyl)-6-methylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-methoxyphenyl)-6-methylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-(2-methoxyphenyl)-6-methylsulfanylpyrimidine-5-carbonitrile is COc1ccccc1-c1nc(N)nc(SC)c1C#N.
What is the InChIKey of 2-amino-4-(2-methoxyphenyl)-6-methylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is UXDXNRNEWNXXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-18-10-6-4-3-5-8(10)11-9(7-14)12(19-2)17-13(15)16-11/h3-6H,1-2H3,(H2,15,16,17).
What are the key properties of 2-amino-4-(2-methoxyphenyl)-6-methylsulfanylpyrimidine-5-carbonitrile?
2-amino-4-(2-methoxyphenyl)-6-methylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 272.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methoxyphenyl)-6-methylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 18507388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).