6-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine

C13H17N3O — CID 114096512

IUPAC6-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine
SMILESCOc1cc(NC2C3C4CCC(C4)C23)ncn1
InChIInChI=1S/C13H17N3O/c1-17-10-5-9(14-6-15-10)16-13-11-7-2-3-8(4-7)12(11)13/h5-8,11-13H,2-4H2,1H3,(H,14,15,16)
InChIKeyJLGTXQMIBJWJIB-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.94
Rot. Bonds3

About 6-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine

6-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine (PubChem CID 114096512) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine
PubChem CID114096512
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name6-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine
SMILESCOc1cc(NC2C3C4CCC(C4)C23)ncn1
InChIInChI=1S/C13H17N3O/c1-17-10-5-9(14-6-15-10)16-13-11-7-2-3-8(4-7)12(11)13/h5-8,11-13H,2-4H2,1H3,(H,14,15,16)
InChIKeyJLGTXQMIBJWJIB-UHFFFAOYSA-N
XLogP1.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine with MolForge

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Related Compounds

6-methylsulfanyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine
CID 114096504
N-(3,5-dimethylcyclohexyl)-6-methoxypyrimidin-4-amine
CID 66326824
6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 66319414
4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine
CID 66318521
N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine
CID 66319421
cis-(1R,3S)-3-[(6-methoxypyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 106322063
6-methoxy-N-(oxan-3-yl)pyrimidin-4-amine
CID 66327033
5-fluoro-6-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine
CID 103765115
6-methoxy-2-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2,3-diamine
CID 114095356
6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888036
3-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 104917710
N-[(3-aminocyclopentyl)methyl]-6-methoxypyrimidin-4-amine
CID 106126816

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine (CID 114096512) is 6-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine is COc1cc(NC2C3C4CCC(C4)C23)ncn1.
What is the InChIKey of 6-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine?
The InChIKey is JLGTXQMIBJWJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-17-10-5-9(14-6-15-10)16-13-11-7-2-3-8(4-7)12(11)13/h5-8,11-13H,2-4H2,1H3,(H,14,15,16).
What are the key properties of 6-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine?
6-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine is sourced from PubChem (CID 114096512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).