6-N-ethyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine

C9H12N6S — CID 19135239

IUPAC6-N-ethyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
SMILESCCNc1ncnc(Nc2nccs2)c1N
InChIInChI=1S/C9H12N6S/c1-2-11-7-6(10)8(14-5-13-7)15-9-12-3-4-16-9/h3-5H,2,10H2,1H3,(H2,11,12,13,14,15)
InChIKeyYJQSOCUKVOVWTO-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.69
Rot. Bonds4

About 6-N-ethyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine

6-N-ethyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine (PubChem CID 19135239) has the molecular formula C9H12N6S and a molecular weight of 236.30 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
PubChem CID19135239
Molecular FormulaC9H12N6S
Molecular Weight236.30 g/mol
Exact Mass236.08
IUPAC Name6-N-ethyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
SMILESCCNc1ncnc(Nc2nccs2)c1N
InChIInChI=1S/C9H12N6S/c1-2-11-7-6(10)8(14-5-13-7)15-9-12-3-4-16-9/h3-5H,2,10H2,1H3,(H2,11,12,13,14,15)
InChIKeyYJQSOCUKVOVWTO-UHFFFAOYSA-N
XLogP1.69
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-butyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19134848
4-N-tert-butyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22540289
6-N-[(4-methylphenyl)methyl]-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19147571
4-N,4-N-bis(2-methylpropyl)-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19140965
4-N-butyl-4-N-methyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19139796
6-N-(pyridin-3-ylmethyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22542797
6-N-(4-chlorophenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19147555
ethyl 4-[[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]amino]benzoate
CID 19146330
6-N-(2,5-dimethylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22547046
6-(2-ethylpiperidin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine
CID 19140470
6-N-(3-chloro-4-methylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22546640
6-phenylsulfanyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine
CID 19147565

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-ethyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine (CID 19135239) is 6-N-ethyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-ethyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-ethyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine is CCNc1ncnc(Nc2nccs2)c1N.
What is the InChIKey of 6-N-ethyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The InChIKey is YJQSOCUKVOVWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6S/c1-2-11-7-6(10)8(14-5-13-7)15-9-12-3-4-16-9/h3-5H,2,10H2,1H3,(H2,11,12,13,14,15).
What are the key properties of 6-N-ethyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
6-N-ethyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine has a molecular weight of 236.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19135239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).