4-N,4-N,5-trimethyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrimidine-2,4-diamine

C15H17N5S — CID 157019241

IUPAC4-N,4-N,5-trimethyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrimidine-2,4-diamine
SMILESCc1nc2ccc(Nc3ncc(C)c(N(C)C)n3)cc2s1
InChIInChI=1S/C15H17N5S/c1-9-8-16-15(19-14(9)20(3)4)18-11-5-6-12-13(7-11)21-10(2)17-12/h5-8H,1-4H3,(H,16,18,19)
InChIKeySQJWUEYFIZSAFG-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.51
Rot. Bonds3

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

4-N,4-N,5-trimethyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrimidine-2,4-diamine (PubChem CID 157019241) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-N,4-N,5-trimethyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N,5-trimethyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrimidine-2,4-diamine
PubChem CID157019241
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name4-N,4-N,5-trimethyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrimidine-2,4-diamine
SMILESCc1nc2ccc(Nc3ncc(C)c(N(C)C)n3)cc2s1
InChIInChI=1S/C15H17N5S/c1-9-8-16-15(19-14(9)20(3)4)18-11-5-6-12-13(7-11)21-10(2)17-12/h5-8H,1-4H3,(H,16,18,19)
InChIKeySQJWUEYFIZSAFG-UHFFFAOYSA-N
XLogP3.51
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine
CID 36574929
3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]benzamide
CID 157018298
2-methyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine
CID 90997586
6-[(2-methyl-1,3-benzothiazol-6-yl)amino]pyridine-3-carbonitrile
CID 47150241
4-N,4-N,5-trimethyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 157018110
2-N-[2-(dimethylamino)-3-pyridinyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 157018593
2-methyl-6-(sulfinatoamino)-1,3-benzothiazole
CID 20746267
2-N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 157015650
2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]thiophene-3-carbonitrile
CID 157016716
2-N-(2-methyl-1,3-benzothiazol-6-yl)propane-1,2-diamine
CID 103388112
1-(2-hydroxyethyl)-1-methyl-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 111431159
2-methyl-1,3-benzothiazole-6-sulfonyl fluoride
CID 150804150

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,5-trimethyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N,5-trimethyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrimidine-2,4-diamine (CID 157019241) is 4-N,4-N,5-trimethyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N,5-trimethyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N,5-trimethyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrimidine-2,4-diamine is Cc1nc2ccc(Nc3ncc(C)c(N(C)C)n3)cc2s1.
What is the InChIKey of 4-N,4-N,5-trimethyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrimidine-2,4-diamine?
The InChIKey is SQJWUEYFIZSAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-9-8-16-15(19-14(9)20(3)4)18-11-5-6-12-13(7-11)21-10(2)17-12/h5-8H,1-4H3,(H,16,18,19).
What are the key properties of 4-N,4-N,5-trimethyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrimidine-2,4-diamine?
4-N,4-N,5-trimethyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrimidine-2,4-diamine has a molecular weight of 299.40 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,5-trimethyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 157019241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).