N-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine

C16H20N4OS — CID 139319810

IUPACN-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCOc1cc(NC2CC3CCC2C3)nc(-c2nc(C)cs2)n1
InChIInChI=1S/C16H20N4OS/c1-9-8-22-16(17-9)15-19-13(7-14(20-15)21-2)18-12-6-10-3-4-11(12)5-10/h7-8,10-12H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyAGMRGZDJIUBUFZ-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.52
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine

N-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine (PubChem CID 139319810) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
PubChem CID139319810
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCOc1cc(NC2CC3CCC2C3)nc(-c2nc(C)cs2)n1
InChIInChI=1S/C16H20N4OS/c1-9-8-22-16(17-9)15-19-13(7-14(20-15)21-2)18-12-6-10-3-4-11(12)5-10/h7-8,10-12H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyAGMRGZDJIUBUFZ-UHFFFAOYSA-N
XLogP3.52
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine (CID 139319810) is N-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine is COc1cc(NC2CC3CCC2C3)nc(-c2nc(C)cs2)n1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The InChIKey is AGMRGZDJIUBUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-9-8-22-16(17-9)15-19-13(7-14(20-15)21-2)18-12-6-10-3-4-11(12)5-10/h7-8,10-12H,3-6H2,1-2H3,(H,18,19,20).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
N-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine has a molecular weight of 316.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 139319810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).