2-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrimidine-5-carbonitrile

C12H13N5S — CID 112755080

IUPAC2-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrimidine-5-carbonitrile
SMILESCc1ncc(C#N)c(Nc2nc(C(C)C)cs2)n1
InChIInChI=1S/C12H13N5S/c1-7(2)10-6-18-12(16-10)17-11-9(4-13)5-14-8(3)15-11/h5-7H,1-3H3,(H,14,15,16,17)
InChIKeyLPPXHKVOVJJRJZ-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.98
Rot. Bonds3

About 2-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrimidine-5-carbonitrile

2-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrimidine-5-carbonitrile (PubChem CID 112755080) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 2-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrimidine-5-carbonitrile
PubChem CID112755080
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name2-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrimidine-5-carbonitrile
SMILESCc1ncc(C#N)c(Nc2nc(C(C)C)cs2)n1
InChIInChI=1S/C12H13N5S/c1-7(2)10-6-18-12(16-10)17-11-9(4-13)5-14-8(3)15-11/h5-7H,1-3H3,(H,14,15,16,17)
InChIKeyLPPXHKVOVJJRJZ-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrimidine-5-carbonitrile?
The IUPAC name of 2-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrimidine-5-carbonitrile (CID 112755080) is 2-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrimidine-5-carbonitrile is Cc1ncc(C#N)c(Nc2nc(C(C)C)cs2)n1.
What is the InChIKey of 2-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrimidine-5-carbonitrile?
The InChIKey is LPPXHKVOVJJRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-7(2)10-6-18-12(16-10)17-11-9(4-13)5-14-8(3)15-11/h5-7H,1-3H3,(H,14,15,16,17).
What are the key properties of 2-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrimidine-5-carbonitrile?
2-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrimidine-5-carbonitrile has a molecular weight of 259.34 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 112755080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).