N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine

C13H19N3O2 — CID 115355152

IUPACN-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1cc(OC)nc(NC2CC3CCC2C3)n1
InChIInChI=1S/C13H19N3O2/c1-17-11-7-12(18-2)16-13(15-11)14-10-6-8-3-4-9(10)5-8/h7-10H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyFGCDPYJRAXNZNV-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.09
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine

N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine (PubChem CID 115355152) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine
PubChem CID115355152
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1cc(OC)nc(NC2CC3CCC2C3)n1
InChIInChI=1S/C13H19N3O2/c1-17-11-7-12(18-2)16-13(15-11)14-10-6-8-3-4-9(10)5-8/h7-10H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyFGCDPYJRAXNZNV-UHFFFAOYSA-N
XLogP2.09
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]oxan-4-ol
CID 91771624
N-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 139319810
1-N-(4,6-dimethoxypyrimidin-2-yl)cycloheptane-1,2-diamine
CID 115355322
N-cyclooctyl-4,6-dimethoxypyrimidin-2-amine
CID 115354929
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-6,7-dimethoxyquinoxalin-2-amine
CID 57045267
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-6,7-dimethoxyquinoxalin-2-amine
CID 67019181
N-(2,4-dimethoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309711
4-methoxy-6-methyl-N-(2-methylcycloheptyl)pyrimidin-2-amine
CID 112638041
N-(2-bicyclo[2.2.1]heptanyl)-6-ethoxypyrimidin-4-amine
CID 66330992
methyl 2-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]-4-tert-butylpyrimidine-5-carboxylate
CID 58168855
N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine
CID 80951871
N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-7-methoxyquinoxalin-2-amine
CID 22573184

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine (CID 115355152) is N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine is COc1cc(OC)nc(NC2CC3CCC2C3)n1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine?
The InChIKey is FGCDPYJRAXNZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-17-11-7-12(18-2)16-13(15-11)14-10-6-8-3-4-9(10)5-8/h7-10H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine?
N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine has a molecular weight of 249.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine is sourced from PubChem (CID 115355152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).