4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine

C19H18N6S — CID 19147799

IUPAC4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1ccccc1Nc1ncnc(Nc2nc3c(C)cccc3s2)c1N
InChIInChI=1S/C19H18N6S/c1-11-6-3-4-8-13(11)23-17-15(20)18(22-10-21-17)25-19-24-16-12(2)7-5-9-14(16)26-19/h3-10H,20H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyJIPAWIYZQVIOPA-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.77
Rot. Bonds4

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

4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19147799) has the molecular formula C19H18N6S and a molecular weight of 362.46 g/mol. Its IUPAC name is 4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
PubChem CID19147799
Molecular FormulaC19H18N6S
Molecular Weight362.46 g/mol
Exact Mass362.13
IUPAC Name4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1ccccc1Nc1ncnc(Nc2nc3c(C)cccc3s2)c1N
InChIInChI=1S/C19H18N6S/c1-11-6-3-4-8-13(11)23-17-15(20)18(22-10-21-17)25-19-24-16-12(2)7-5-9-14(16)26-19/h3-10H,20H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyJIPAWIYZQVIOPA-UHFFFAOYSA-N
XLogP4.77
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine (CID 19147799) is 4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine is Cc1ccccc1Nc1ncnc(Nc2nc3c(C)cccc3s2)c1N.
What is the InChIKey of 4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is JIPAWIYZQVIOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6S/c1-11-6-3-4-8-13(11)23-17-15(20)18(22-10-21-17)25-19-24-16-12(2)7-5-9-14(16)26-19/h3-10H,20H2,1-2H3,(H2,21,22,23,24,25).
What are the key properties of 4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine?
4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 362.46 g/mol, XLogP of 4.77, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19147799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).