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

C18H21N5OS — CID 19150062

IUPAC6-cyclohexyloxy-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
SMILESCc1cccc2sc(Nc3ncnc(OC4CCCCC4)c3N)nc12
InChIInChI=1S/C18H21N5OS/c1-11-6-5-9-13-15(11)22-18(25-13)23-16-14(19)17(21-10-20-16)24-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,19H2,1H3,(H,20,21,22,23)
InChIKeyZCVNUDLLOMYYMG-UHFFFAOYSA-N
MW355.47 g/mol
LogP4.43
Rot. Bonds4

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

6-cyclohexyloxy-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine (PubChem CID 19150062) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 6-cyclohexyloxy-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-cyclohexyloxy-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
PubChem CID19150062
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name6-cyclohexyloxy-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
SMILESCc1cccc2sc(Nc3ncnc(OC4CCCCC4)c3N)nc12
InChIInChI=1S/C18H21N5OS/c1-11-6-5-9-13-15(11)22-18(25-13)23-16-14(19)17(21-10-20-16)24-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,19H2,1H3,(H,20,21,22,23)
InChIKeyZCVNUDLLOMYYMG-UHFFFAOYSA-N
XLogP4.43
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(1,3-benzothiazol-2-yl)-6-cyclohexyloxypyrimidine-4,5-diamine
CID 19146051
6-N-(4-methyl-1,3-benzothiazol-2-yl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135651
4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147799
4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19146973
4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144343
6-N-(2,4-dimethylphenyl)-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19143328
4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19150053
4-N-(3-chloro-2-methylphenyl)-6-cyclohexyloxypyrimidine-4,5-diamine
CID 22545500
6-N-(4-ethylphenyl)-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22544353
4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
CID 19150023
6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19146479
6-N-(4-butylphenyl)-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22540078

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyloxy-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-cyclohexyloxy-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine (CID 19150062) is 6-cyclohexyloxy-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-cyclohexyloxy-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-cyclohexyloxy-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine is Cc1cccc2sc(Nc3ncnc(OC4CCCCC4)c3N)nc12.
What is the InChIKey of 6-cyclohexyloxy-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine?
The InChIKey is ZCVNUDLLOMYYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-11-6-5-9-13-15(11)22-18(25-13)23-16-14(19)17(21-10-20-16)24-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,19H2,1H3,(H,20,21,22,23).
What are the key properties of 6-cyclohexyloxy-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine?
6-cyclohexyloxy-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine has a molecular weight of 355.47 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyloxy-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19150062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).