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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Related Compounds

5-[(4,5-Dimethyl-1,3-thiazol-3-ium-3-yl)methyl]-2-methylpyrimidin-4-amine;chloride;hydrochloride
CID 16192546
Dimethialium
CID 161140
2-Methyl-5-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]pyrimidin-4-amine
CID 12513498
3-(4-Amino-2-methyl-5-pyrimidyl methyl)-4-methyl thiazolium chloride
CID 14664690
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methyl-5-propylpyrimidin-4-amine
CID 50951268
5-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylpyrimidin-4-amine
CID 50952187
5,6-Dimethyl-N-[2-(4-methyl-1,3-thiazol-2-YL)ethyl]pyrimidin-4-amine
CID 72887352
1-(5-Ethyl-2-methylpyrimidin-4-YL)-N-[3-(4-methyl-1,3-thiazol-2-YL)propyl]piperidin-4-amine
CID 72914633
N-tert-butyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine
CID 16663006
2-[4-Methyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanenitrile
CID 130419515
4-tert-butyl-N-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-thiazol-2-amine
CID 152559154
2-Methyl-5-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]pyrimidin-4-amine bromide
CID 134908219

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).