2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-6-methylpyrimidine-4-carbonitrile

C12H13N5S — CID 107543941

IUPAC2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCCc1nc(Nc2nc(C)cc(C#N)n2)sc1C
InChIInChI=1S/C12H13N5S/c1-4-10-8(3)18-12(16-10)17-11-14-7(2)5-9(6-13)15-11/h5H,4H2,1-3H3,(H,14,15,16,17)
InChIKeyPSIZCKPOYWIHKH-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.73
Rot. Bonds3

About 2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-6-methylpyrimidine-4-carbonitrile

2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 107543941) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
PubChem CID107543941
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCCc1nc(Nc2nc(C)cc(C#N)n2)sc1C
InChIInChI=1S/C12H13N5S/c1-4-10-8(3)18-12(16-10)17-11-14-7(2)5-9(6-13)15-11/h5H,4H2,1-3H3,(H,14,15,16,17)
InChIKeyPSIZCKPOYWIHKH-UHFFFAOYSA-N
XLogP2.73
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-6-methylpyrimidine-4-carbonitrile (CID 107543941) is 2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-6-methylpyrimidine-4-carbonitrile is CCc1nc(Nc2nc(C)cc(C#N)n2)sc1C.
What is the InChIKey of 2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is PSIZCKPOYWIHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-4-10-8(3)18-12(16-10)17-11-14-7(2)5-9(6-13)15-11/h5H,4H2,1-3H3,(H,14,15,16,17).
What are the key properties of 2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-6-methylpyrimidine-4-carbonitrile?
2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 259.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107543941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).