N-(5-methoxypyrimidin-2-yl)azepan-3-amine

C11H18N4O — CID 114600932

IUPACN-(5-methoxypyrimidin-2-yl)azepan-3-amine
SMILESCOc1cnc(NC2CCCCNC2)nc1
InChIInChI=1S/C11H18N4O/c1-16-10-7-13-11(14-8-10)15-9-4-2-3-5-12-6-9/h7-9,12H,2-6H2,1H3,(H,13,14,15)
InChIKeyXOQMHCRTEXXZEF-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.04
Rot. Bonds3

About N-(5-methoxypyrimidin-2-yl)azepan-3-amine

N-(5-methoxypyrimidin-2-yl)azepan-3-amine (PubChem CID 114600932) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(5-methoxypyrimidin-2-yl)azepan-3-amine.

Molecular Properties

Compound NameN-(5-methoxypyrimidin-2-yl)azepan-3-amine
PubChem CID114600932
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-(5-methoxypyrimidin-2-yl)azepan-3-amine
SMILESCOc1cnc(NC2CCCCNC2)nc1
InChIInChI=1S/C11H18N4O/c1-16-10-7-13-11(14-8-10)15-9-4-2-3-5-12-6-9/h7-9,12H,2-6H2,1H3,(H,13,14,15)
InChIKeyXOQMHCRTEXXZEF-UHFFFAOYSA-N
XLogP1.04
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(azetidin-3-yl)-5-methoxypyrimidin-2-amine
CID 114600963
5-methoxy-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 114600875
5-cyclohexyl-N-piperidin-3-ylpyrimidin-2-amine
CID 116974757
N-(4-methoxy-6-methylpyrimidin-2-yl)azepan-3-amine
CID 112634935
N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 168827322
5-(piperidin-4-ylmethoxy)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 123875025
N-(5-methoxypyrimidin-2-yl)-5-azaspiro[3.5]nonan-8-amine
CID 114600858
5-tert-butyl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 116974701
N-(azetidin-3-yl)-5-(4-methoxyphenyl)pyrimidin-2-amine
CID 116974653
5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 63872650
N-piperidin-3-yl-5-pyridin-4-ylpyrimidin-2-amine
CID 116974754
3-[(5-methoxypyrimidin-2-yl)amino]piperidin-2-one
CID 114600542

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypyrimidin-2-yl)azepan-3-amine?
The IUPAC name of N-(5-methoxypyrimidin-2-yl)azepan-3-amine (CID 114600932) is N-(5-methoxypyrimidin-2-yl)azepan-3-amine.
What is the SMILES notation for N-(5-methoxypyrimidin-2-yl)azepan-3-amine?
The canonical SMILES for N-(5-methoxypyrimidin-2-yl)azepan-3-amine is COc1cnc(NC2CCCCNC2)nc1.
What is the InChIKey of N-(5-methoxypyrimidin-2-yl)azepan-3-amine?
The InChIKey is XOQMHCRTEXXZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-16-10-7-13-11(14-8-10)15-9-4-2-3-5-12-6-9/h7-9,12H,2-6H2,1H3,(H,13,14,15).
What are the key properties of N-(5-methoxypyrimidin-2-yl)azepan-3-amine?
N-(5-methoxypyrimidin-2-yl)azepan-3-amine has a molecular weight of 222.29 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypyrimidin-2-yl)azepan-3-amine is sourced from PubChem (CID 114600932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).