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

C11H16N6S — CID 22540289

IUPAC4-N-tert-butyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
SMILESCC(C)(C)Nc1ncnc(Nc2nccs2)c1N
InChIInChI=1S/C11H16N6S/c1-11(2,3)17-9-7(12)8(14-6-15-9)16-10-13-4-5-18-10/h4-6H,12H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyHSGNRBDDHBPMGN-UHFFFAOYSA-N
MW264.36 g/mol
LogP2.47
Rot. Bonds3

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

4-N-tert-butyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine (PubChem CID 22540289) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is 4-N-tert-butyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-tert-butyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
PubChem CID22540289
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name4-N-tert-butyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
SMILESCC(C)(C)Nc1ncnc(Nc2nccs2)c1N
InChIInChI=1S/C11H16N6S/c1-11(2,3)17-9-7(12)8(14-6-15-9)16-10-13-4-5-18-10/h4-6H,12H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyHSGNRBDDHBPMGN-UHFFFAOYSA-N
XLogP2.47
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
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

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Related Compounds

6-N-ethyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19135239
6-N-butyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19134848
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
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-(3-chloro-4-methylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22546640
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-phenylsulfanyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine
CID 19147565
N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19147594
6-(2-ethylpiperidin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine
CID 19140470

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-tert-butyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine (CID 22540289) is 4-N-tert-butyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-tert-butyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-tert-butyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine is CC(C)(C)Nc1ncnc(Nc2nccs2)c1N.
What is the InChIKey of 4-N-tert-butyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The InChIKey is HSGNRBDDHBPMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-11(2,3)17-9-7(12)8(14-6-15-9)16-10-13-4-5-18-10/h4-6H,12H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 4-N-tert-butyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
4-N-tert-butyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine has a molecular weight of 264.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22540289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).