N-(4,4-dimethylcyclohexyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine

C17H24N4OS — CID 139300403

IUPACN-(4,4-dimethylcyclohexyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCOc1cc(NC2CCC(C)(C)CC2)nc(-c2nc(C)cs2)n1
InChIInChI=1S/C17H24N4OS/c1-11-10-23-16(18-11)15-20-13(9-14(21-15)22-4)19-12-5-7-17(2,3)8-6-12/h9-10,12H,5-8H2,1-4H3,(H,19,20,21)
InChIKeySESYPZGRUWZDKN-UHFFFAOYSA-N
MW332.47 g/mol
LogP4.30
Rot. Bonds4

About N-(4,4-dimethylcyclohexyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine

N-(4,4-dimethylcyclohexyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine (PubChem CID 139300403) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
PubChem CID139300403
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC NameN-(4,4-dimethylcyclohexyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCOc1cc(NC2CCC(C)(C)CC2)nc(-c2nc(C)cs2)n1
InChIInChI=1S/C17H24N4OS/c1-11-10-23-16(18-11)15-20-13(9-14(21-15)22-4)19-12-5-7-17(2,3)8-6-12/h9-10,12H,5-8H2,1-4H3,(H,19,20,21)
InChIKeySESYPZGRUWZDKN-UHFFFAOYSA-N
XLogP4.30
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine (CID 139300403) is N-(4,4-dimethylcyclohexyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine is COc1cc(NC2CCC(C)(C)CC2)nc(-c2nc(C)cs2)n1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The InChIKey is SESYPZGRUWZDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-11-10-23-16(18-11)15-20-13(9-14(21-15)22-4)19-12-5-7-17(2,3)8-6-12/h9-10,12H,5-8H2,1-4H3,(H,19,20,21).
What are the key properties of N-(4,4-dimethylcyclohexyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
N-(4,4-dimethylcyclohexyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine has a molecular weight of 332.47 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 139300403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).