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

C12H18N6S — CID 19139796

IUPAC4-N-butyl-4-N-methyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
SMILESCCCCN(C)c1ncnc(Nc2nccs2)c1N
InChIInChI=1S/C12H18N6S/c1-3-4-6-18(2)11-9(13)10(15-8-16-11)17-12-14-5-7-19-12/h5,7-8H,3-4,6,13H2,1-2H3,(H,14,15,16,17)
InChIKeyJZYQOLGVWWMWLB-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.50
Rot. Bonds6

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

4-N-butyl-4-N-methyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine (PubChem CID 19139796) has the molecular formula C12H18N6S and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-N-butyl-4-N-methyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-butyl-4-N-methyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
PubChem CID19139796
Molecular FormulaC12H18N6S
Molecular Weight278.38 g/mol
Exact Mass278.13
IUPAC Name4-N-butyl-4-N-methyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
SMILESCCCCN(C)c1ncnc(Nc2nccs2)c1N
InChIInChI=1S/C12H18N6S/c1-3-4-6-18(2)11-9(13)10(15-8-16-11)17-12-14-5-7-19-12/h5,7-8H,3-4,6,13H2,1-2H3,(H,14,15,16,17)
InChIKeyJZYQOLGVWWMWLB-UHFFFAOYSA-N
XLogP2.50
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-butyl-4-N-methyl-5-nitro-6-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine
CID 23491748
6-N-butyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19134848
4-N,4-N-bis(2-methylpropyl)-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19140965
6-N-ethyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19135239
4-N-butyl-6-N-(4-chlorophenyl)-4-N-methylpyrimidine-4,5,6-triamine
CID 19139806
4-N-butyl-6-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-4,5,6-triamine
CID 19139880
4-N-tert-butyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22540289
4-N-butyl-6-N-(3-chloro-4-fluorophenyl)-4-N-methylpyrimidine-4,5,6-triamine
CID 19139861
6-N-(2,5-dimethylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22547046
6-N-[(4-methylphenyl)methyl]-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19147571
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

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-4-N-methyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-butyl-4-N-methyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine (CID 19139796) is 4-N-butyl-4-N-methyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-butyl-4-N-methyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-butyl-4-N-methyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine is CCCCN(C)c1ncnc(Nc2nccs2)c1N.
What is the InChIKey of 4-N-butyl-4-N-methyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The InChIKey is JZYQOLGVWWMWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6S/c1-3-4-6-18(2)11-9(13)10(15-8-16-11)17-12-14-5-7-19-12/h5,7-8H,3-4,6,13H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-N-butyl-4-N-methyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
4-N-butyl-4-N-methyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine has a molecular weight of 278.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-4-N-methyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19139796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).