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

C12H13N5S — CID 112755210

IUPAC4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-methylpyrimidine-5-carbonitrile
SMILESCCc1cnc(CNc2nc(C)ncc2C#N)s1
InChIInChI=1S/C12H13N5S/c1-3-10-6-15-11(18-10)7-16-12-9(4-13)5-14-8(2)17-12/h5-6H,3,7H2,1-2H3,(H,14,16,17)
InChIKeyXHZPFRZGELIPGO-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.29
Rot. Bonds4

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

4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-methylpyrimidine-5-carbonitrile (PubChem CID 112755210) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-methylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-methylpyrimidine-5-carbonitrile
PubChem CID112755210
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-methylpyrimidine-5-carbonitrile
SMILESCCc1cnc(CNc2nc(C)ncc2C#N)s1
InChIInChI=1S/C12H13N5S/c1-3-10-6-15-11(18-10)7-16-12-9(4-13)5-14-8(2)17-12/h5-6H,3,7H2,1-2H3,(H,14,16,17)
InChIKeyXHZPFRZGELIPGO-UHFFFAOYSA-N
XLogP2.29
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 103704512
5,6-diethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pyridazine-4-carbonitrile
CID 103757119
2-[[(5-ethyl-1,3-thiazol-2-yl)methylamino]methyl]benzonitrile
CID 113338467
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-methyl-3-nitropyridin-2-amine
CID 103780073
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886
5-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 102975903
methyl 4-[[(5-cyano-2-methylpyrimidin-4-yl)amino]methyl]benzoate
CID 71173554
2-bromo-6-[(5-ethyl-1,3-thiazol-2-yl)methylamino]benzonitrile
CID 114127723
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-3-nitropyridin-2-amine
CID 103704528
6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 133325986
2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-4-methylpyridine-3-carboxylic acid
CID 114129166
2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 114129233

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-methylpyrimidine-5-carbonitrile?
The IUPAC name of 4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-methylpyrimidine-5-carbonitrile (CID 112755210) is 4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-methylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-methylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-methylpyrimidine-5-carbonitrile is CCc1cnc(CNc2nc(C)ncc2C#N)s1.
What is the InChIKey of 4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-methylpyrimidine-5-carbonitrile?
The InChIKey is XHZPFRZGELIPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-3-10-6-15-11(18-10)7-16-12-9(4-13)5-14-8(2)17-12/h5-6H,3,7H2,1-2H3,(H,14,16,17).
What are the key properties of 4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-methylpyrimidine-5-carbonitrile?
4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-methylpyrimidine-5-carbonitrile has a molecular weight of 259.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-methylpyrimidine-5-carbonitrile is sourced from PubChem (CID 112755210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).