4-N-(1,3-benzothiazol-6-yl)-2-tert-butylpyrimidine-4,6-diamine

C15H17N5S — CID 107801962

IUPAC4-N-(1,3-benzothiazol-6-yl)-2-tert-butylpyrimidine-4,6-diamine
SMILESCC(C)(C)c1nc(N)cc(Nc2ccc3ncsc3c2)n1
InChIInChI=1S/C15H17N5S/c1-15(2,3)14-19-12(16)7-13(20-14)18-9-4-5-10-11(6-9)21-8-17-10/h4-8H,1-3H3,(H3,16,18,19,20)
InChIKeyYEFMIVKVJYAMHF-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.71
Rot. Bonds2

About 4-N-(1,3-benzothiazol-6-yl)-2-tert-butylpyrimidine-4,6-diamine

4-N-(1,3-benzothiazol-6-yl)-2-tert-butylpyrimidine-4,6-diamine (PubChem CID 107801962) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-N-(1,3-benzothiazol-6-yl)-2-tert-butylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1,3-benzothiazol-6-yl)-2-tert-butylpyrimidine-4,6-diamine
PubChem CID107801962
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name4-N-(1,3-benzothiazol-6-yl)-2-tert-butylpyrimidine-4,6-diamine
SMILESCC(C)(C)c1nc(N)cc(Nc2ccc3ncsc3c2)n1
InChIInChI=1S/C15H17N5S/c1-15(2,3)14-19-12(16)7-13(20-14)18-9-4-5-10-11(6-9)21-8-17-10/h4-8H,1-3H3,(H3,16,18,19,20)
InChIKeyYEFMIVKVJYAMHF-UHFFFAOYSA-N
XLogP3.71
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
CID 80955700
2-N-(1,3-benzothiazol-6-yl)-6-methylpyridine-2,5-diamine
CID 107802793
4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107801951
2-N-(1,3-benzothiazol-6-yl)-6-N-ethylpyrazine-2,6-diamine
CID 107802020
2-tert-butyl-4-N-(3-ethylphenyl)pyrimidine-4,6-diamine
CID 80955477
2-N-(1,3-benzothiazol-6-yl)-3-methylpyridine-2,5-diamine
CID 107802776
N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-1,3-benzothiazol-6-amine
CID 107800218
N-(5-bromo-4-methyl-2-pyridinyl)-1,3-benzothiazol-6-amine
CID 107801119
N-(6-chloropyrazin-2-yl)-1,3-benzothiazol-6-amine
CID 107268509
5-N-(1,3-benzothiazol-6-yl)pyridine-3,5-diamine
CID 107801971
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 83634070
1-N-(1,3-benzothiazol-6-yl)benzene-1,2,4-triamine
CID 12685915

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-benzothiazol-6-yl)-2-tert-butylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1,3-benzothiazol-6-yl)-2-tert-butylpyrimidine-4,6-diamine (CID 107801962) is 4-N-(1,3-benzothiazol-6-yl)-2-tert-butylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1,3-benzothiazol-6-yl)-2-tert-butylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1,3-benzothiazol-6-yl)-2-tert-butylpyrimidine-4,6-diamine is CC(C)(C)c1nc(N)cc(Nc2ccc3ncsc3c2)n1.
What is the InChIKey of 4-N-(1,3-benzothiazol-6-yl)-2-tert-butylpyrimidine-4,6-diamine?
The InChIKey is YEFMIVKVJYAMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-15(2,3)14-19-12(16)7-13(20-14)18-9-4-5-10-11(6-9)21-8-17-10/h4-8H,1-3H3,(H3,16,18,19,20).
What are the key properties of 4-N-(1,3-benzothiazol-6-yl)-2-tert-butylpyrimidine-4,6-diamine?
4-N-(1,3-benzothiazol-6-yl)-2-tert-butylpyrimidine-4,6-diamine has a molecular weight of 299.40 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-benzothiazol-6-yl)-2-tert-butylpyrimidine-4,6-diamine is sourced from PubChem (CID 107801962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).