4-[amino(cyclohexyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine

C16H23N5O2S — CID 155538885

IUPAC4-[amino(cyclohexyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCOc1cc(OC)nc(Nc2nc(C(N)C3CCCCC3)cs2)n1
InChIInChI=1S/C16H23N5O2S/c1-22-12-8-13(23-2)20-15(19-12)21-16-18-11(9-24-16)14(17)10-6-4-3-5-7-10/h8-10,14H,3-7,17H2,1-2H3,(H,18,19,20,21)
InChIKeySSRIIAJUEQUYPB-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.27
Rot. Bonds6

About 4-[amino(cyclohexyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine

4-[amino(cyclohexyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 155538885) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-[amino(cyclohexyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[amino(cyclohexyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID155538885
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name4-[amino(cyclohexyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCOc1cc(OC)nc(Nc2nc(C(N)C3CCCCC3)cs2)n1
InChIInChI=1S/C16H23N5O2S/c1-22-12-8-13(23-2)20-15(19-12)21-16-18-11(9-24-16)14(17)10-6-4-3-5-7-10/h8-10,14H,3-7,17H2,1-2H3,(H,18,19,20,21)
InChIKeySSRIIAJUEQUYPB-UHFFFAOYSA-N
XLogP3.27
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[amino(phenyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
CID 46942797
4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
CID 46943562
4-(1-amino-3-phenylpropyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
CID 46944113
4-(1-amino-2-phenylethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
CID 49791228
4-(1-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
CID 46942738
4-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
CID 46948482
2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(4,4-difluorocyclohexyl)-6-methoxypyrimidin-4-amine
CID 139300126
4-[1-amino-2-(4-aminophenyl)ethyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
CID 132463686
6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-N-spiro[2.5]octan-6-ylpyrimidin-4-amine
CID 132207667
N-(4,4-dimethylcyclohexyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 139300403
4,6-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine
CID 103824450
4-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methoxypyrimidine-2,4-diamine
CID 114053149

Frequently Asked Questions

What is the IUPAC name of 4-[amino(cyclohexyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[amino(cyclohexyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine (CID 155538885) is 4-[amino(cyclohexyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[amino(cyclohexyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[amino(cyclohexyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine is COc1cc(OC)nc(Nc2nc(C(N)C3CCCCC3)cs2)n1.
What is the InChIKey of 4-[amino(cyclohexyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is SSRIIAJUEQUYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-22-12-8-13(23-2)20-15(19-12)21-16-18-11(9-24-16)14(17)10-6-4-3-5-7-10/h8-10,14H,3-7,17H2,1-2H3,(H,18,19,20,21).
What are the key properties of 4-[amino(cyclohexyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine?
4-[amino(cyclohexyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 349.46 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(cyclohexyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 155538885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).