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

C15H24N6S — CID 19140965

IUPAC4-N,4-N-bis(2-methylpropyl)-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
SMILESCC(C)CN(CC(C)C)c1ncnc(Nc2nccs2)c1N
InChIInChI=1S/C15H24N6S/c1-10(2)7-21(8-11(3)4)14-12(16)13(18-9-19-14)20-15-17-5-6-22-15/h5-6,9-11H,7-8,16H2,1-4H3,(H,17,18,19,20)
InChIKeyFXIZWDFPQVYVID-UHFFFAOYSA-N
MW320.47 g/mol
LogP3.38
Rot. Bonds7

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

4-N,4-N-bis(2-methylpropyl)-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine (PubChem CID 19140965) has the molecular formula C15H24N6S and a molecular weight of 320.47 g/mol. Its IUPAC name is 4-N,4-N-bis(2-methylpropyl)-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N,4-N-bis(2-methylpropyl)-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
PubChem CID19140965
Molecular FormulaC15H24N6S
Molecular Weight320.47 g/mol
Exact Mass320.18
IUPAC Name4-N,4-N-bis(2-methylpropyl)-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
SMILESCC(C)CN(CC(C)C)c1ncnc(Nc2nccs2)c1N
InChIInChI=1S/C15H24N6S/c1-10(2)7-21(8-11(3)4)14-12(16)13(18-9-19-14)20-15-17-5-6-22-15/h5-6,9-11H,7-8,16H2,1-4H3,(H,17,18,19,20)
InChIKeyFXIZWDFPQVYVID-UHFFFAOYSA-N
XLogP3.38
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-butyl-4-N-methyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19139796
6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19134997
6-N-ethyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19135239
6-N-(2-chloro-3-pyridinyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19141069
4-N-tert-butyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22540289
6-N-butyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19134848
6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19140933
6-N-(5-chloro-2-pyridinyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19140961
6-N-(2,5-dimethylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22547046
4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19137086
6-N-cycloheptyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19141056
6-N-(4-bromo-2-fluorophenyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19141027

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(2-methylpropyl)-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N,4-N-bis(2-methylpropyl)-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine (CID 19140965) is 4-N,4-N-bis(2-methylpropyl)-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N,4-N-bis(2-methylpropyl)-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N,4-N-bis(2-methylpropyl)-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine is CC(C)CN(CC(C)C)c1ncnc(Nc2nccs2)c1N.
What is the InChIKey of 4-N,4-N-bis(2-methylpropyl)-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The InChIKey is FXIZWDFPQVYVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6S/c1-10(2)7-21(8-11(3)4)14-12(16)13(18-9-19-14)20-15-17-5-6-22-15/h5-6,9-11H,7-8,16H2,1-4H3,(H,17,18,19,20).
What are the key properties of 4-N,4-N-bis(2-methylpropyl)-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
4-N,4-N-bis(2-methylpropyl)-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine has a molecular weight of 320.47 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(2-methylpropyl)-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19140965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).