4-[(1-aminocycloheptyl)methoxy]-N,N-dimethylpyrimidin-2-amine

C14H24N4O — CID 64830499

IUPAC4-[(1-aminocycloheptyl)methoxy]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(OCC2(N)CCCCCC2)n1
InChIInChI=1S/C14H24N4O/c1-18(2)13-16-10-7-12(17-13)19-11-14(15)8-5-3-4-6-9-14/h7,10H,3-6,8-9,11,15H2,1-2H3
InChIKeyARLTUPKYMKZQIM-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.97
Rot. Bonds4

About 4-[(1-aminocycloheptyl)methoxy]-N,N-dimethylpyrimidin-2-amine

4-[(1-aminocycloheptyl)methoxy]-N,N-dimethylpyrimidin-2-amine (PubChem CID 64830499) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[(1-aminocycloheptyl)methoxy]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(1-aminocycloheptyl)methoxy]-N,N-dimethylpyrimidin-2-amine
PubChem CID64830499
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-[(1-aminocycloheptyl)methoxy]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(OCC2(N)CCCCCC2)n1
InChIInChI=1S/C14H24N4O/c1-18(2)13-16-10-7-12(17-13)19-11-14(15)8-5-3-4-6-9-14/h7,10H,3-6,8-9,11,15H2,1-2H3
InChIKeyARLTUPKYMKZQIM-UHFFFAOYSA-N
XLogP1.97
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocycloheptyl)methoxy]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[(1-aminocycloheptyl)methoxy]-N,N-dimethylpyrimidin-2-amine (CID 64830499) is 4-[(1-aminocycloheptyl)methoxy]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[(1-aminocycloheptyl)methoxy]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[(1-aminocycloheptyl)methoxy]-N,N-dimethylpyrimidin-2-amine is CN(C)c1nccc(OCC2(N)CCCCCC2)n1.
What is the InChIKey of 4-[(1-aminocycloheptyl)methoxy]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is ARLTUPKYMKZQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-18(2)13-16-10-7-12(17-13)19-11-14(15)8-5-3-4-6-9-14/h7,10H,3-6,8-9,11,15H2,1-2H3.
What are the key properties of 4-[(1-aminocycloheptyl)methoxy]-N,N-dimethylpyrimidin-2-amine?
4-[(1-aminocycloheptyl)methoxy]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 264.37 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocycloheptyl)methoxy]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 64830499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).