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

C11H16N6S — CID 19134848

IUPAC6-N-butyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
SMILESCCCCNc1ncnc(Nc2nccs2)c1N
InChIInChI=1S/C11H16N6S/c1-2-3-4-13-9-8(12)10(16-7-15-9)17-11-14-5-6-18-11/h5-7H,2-4,12H2,1H3,(H2,13,14,15,16,17)
InChIKeyOXHOLHVMLDTTRI-UHFFFAOYSA-N
MW264.36 g/mol
LogP2.47
Rot. Bonds6

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

6-N-butyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine (PubChem CID 19134848) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is 6-N-butyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-butyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
PubChem CID19134848
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name6-N-butyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
SMILESCCCCNc1ncnc(Nc2nccs2)c1N
InChIInChI=1S/C11H16N6S/c1-2-3-4-13-9-8(12)10(16-7-15-9)17-11-14-5-6-18-11/h5-7H,2-4,12H2,1H3,(H2,13,14,15,16,17)
InChIKeyOXHOLHVMLDTTRI-UHFFFAOYSA-N
XLogP2.47
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-N-ethyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19135239
4-N-butyl-4-N-methyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19139796
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
6-N-butyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544891
4-N,4-N-bis(2-methylpropyl)-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19140965
6-N-(2,5-dimethylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22547046
6-N-(pyridin-3-ylmethyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22542797
6-N-butyl-4-N-(4-butylphenyl)pyrimidine-4,5,6-triamine
CID 22539974
6-N-(4-chlorophenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19147555
6-N-butyl-4-N-(2-chlorophenyl)pyrimidine-4,5,6-triamine
CID 19134851
6-N-butyl-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544033

Frequently Asked Questions

What is the IUPAC name of 6-N-butyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-butyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine (CID 19134848) is 6-N-butyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-butyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-butyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine is CCCCNc1ncnc(Nc2nccs2)c1N.
What is the InChIKey of 6-N-butyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The InChIKey is OXHOLHVMLDTTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-2-3-4-13-9-8(12)10(16-7-15-9)17-11-14-5-6-18-11/h5-7H,2-4,12H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 6-N-butyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
6-N-butyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine has a molecular weight of 264.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19134848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).