2,4-diamino-6-[3-(3-methyl-1,2-thiazol-5-yl)phenyl]pyrimidine-5-carbonitrile

C15H12N6S — CID 169397582

IUPAC2,4-diamino-6-[3-(3-methyl-1,2-thiazol-5-yl)phenyl]pyrimidine-5-carbonitrile
SMILESCc1cc(-c2cccc(-c3nc(N)nc(N)c3C#N)c2)sn1
InChIInChI=1S/C15H12N6S/c1-8-5-12(22-21-8)9-3-2-4-10(6-9)13-11(7-16)14(17)20-15(18)19-13/h2-6H,1H3,(H4,17,18,19,20)
InChIKeyIAZRXUIDNUODDW-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.61
Rot. Bonds2

About 2,4-diamino-6-[3-(3-methyl-1,2-thiazol-5-yl)phenyl]pyrimidine-5-carbonitrile

2,4-diamino-6-[3-(3-methyl-1,2-thiazol-5-yl)phenyl]pyrimidine-5-carbonitrile (PubChem CID 169397582) has the molecular formula C15H12N6S and a molecular weight of 308.37 g/mol. Its IUPAC name is 2,4-diamino-6-[3-(3-methyl-1,2-thiazol-5-yl)phenyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-[3-(3-methyl-1,2-thiazol-5-yl)phenyl]pyrimidine-5-carbonitrile
PubChem CID169397582
Molecular FormulaC15H12N6S
Molecular Weight308.37 g/mol
Exact Mass308.08
IUPAC Name2,4-diamino-6-[3-(3-methyl-1,2-thiazol-5-yl)phenyl]pyrimidine-5-carbonitrile
SMILESCc1cc(-c2cccc(-c3nc(N)nc(N)c3C#N)c2)sn1
InChIInChI=1S/C15H12N6S/c1-8-5-12(22-21-8)9-3-2-4-10(6-9)13-11(7-16)14(17)20-15(18)19-13/h2-6H,1H3,(H4,17,18,19,20)
InChIKeyIAZRXUIDNUODDW-UHFFFAOYSA-N
XLogP2.61
TPSA114.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-diamino-6-[2-(3-methyl-1,2-thiazol-5-yl)phenyl]pyrimidine-5-carbonitrile
CID 169397583
2,4-diamino-6-[3-(2-trimethylsilylethynyl)phenyl]pyrimidine-5-carbonitrile
CID 169398364
2,4-diamino-6-[3-(2,4-difluorophenyl)phenyl]pyrimidine-5-carbonitrile
CID 169396904
methyl 3-[3-(2,6-diamino-5-cyanopyrimidin-4-yl)phenyl]benzoate
CID 169398246
3-(2,6-diamino-5-cyanopyrimidin-4-yl)-N,N-dimethylbenzamide
CID 169398285
2,4-diamino-6-[3-(difluoromethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169396261
2,4-diamino-6-[3-(thiomorpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile
CID 169396517
4-amino-6-(3-chlorophenyl)-2-methylsulfanylpyrimidine-5-carbonitrile
CID 14579964
ethane;3-methyl-5-phenyl-1,2-thiazole
CID 142845689
2,4-diamino-6-(2-amino-1,3-benzothiazol-6-yl)pyrimidine-5-carbonitrile
CID 169398242
2,4-diamino-6-(3,5-dibromophenyl)pyrimidine-5-carbonitrile
CID 169396136
2,4-diamino-6-[3-(2-phenylethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169397662

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-[3-(3-methyl-1,2-thiazol-5-yl)phenyl]pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-[3-(3-methyl-1,2-thiazol-5-yl)phenyl]pyrimidine-5-carbonitrile (CID 169397582) is 2,4-diamino-6-[3-(3-methyl-1,2-thiazol-5-yl)phenyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-[3-(3-methyl-1,2-thiazol-5-yl)phenyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-[3-(3-methyl-1,2-thiazol-5-yl)phenyl]pyrimidine-5-carbonitrile is Cc1cc(-c2cccc(-c3nc(N)nc(N)c3C#N)c2)sn1.
What is the InChIKey of 2,4-diamino-6-[3-(3-methyl-1,2-thiazol-5-yl)phenyl]pyrimidine-5-carbonitrile?
The InChIKey is IAZRXUIDNUODDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6S/c1-8-5-12(22-21-8)9-3-2-4-10(6-9)13-11(7-16)14(17)20-15(18)19-13/h2-6H,1H3,(H4,17,18,19,20).
What are the key properties of 2,4-diamino-6-[3-(3-methyl-1,2-thiazol-5-yl)phenyl]pyrimidine-5-carbonitrile?
2,4-diamino-6-[3-(3-methyl-1,2-thiazol-5-yl)phenyl]pyrimidine-5-carbonitrile has a molecular weight of 308.37 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-[3-(3-methyl-1,2-thiazol-5-yl)phenyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 169397582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).