4-[(1-aminocycloheptyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one

C15H23N3O2 — CID 114586497

IUPAC4-[(1-aminocycloheptyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNC1(COc2cc(=O)[nH]c(C3CC3)n2)CCCCCC1
InChIInChI=1S/C15H23N3O2/c16-15(7-3-1-2-4-8-15)10-20-13-9-12(19)17-14(18-13)11-5-6-11/h9,11H,1-8,10,16H2,(H,17,18,19)
InChIKeyHOLQOZGDEGDKBC-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.08
Rot. Bonds4

About 4-[(1-aminocycloheptyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one

4-[(1-aminocycloheptyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 114586497) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[(1-aminocycloheptyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-aminocycloheptyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID114586497
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[(1-aminocycloheptyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNC1(COc2cc(=O)[nH]c(C3CC3)n2)CCCCCC1
InChIInChI=1S/C15H23N3O2/c16-15(7-3-1-2-4-8-15)10-20-13-9-12(19)17-14(18-13)11-5-6-11/h9,11H,1-8,10,16H2,(H,17,18,19)
InChIKeyHOLQOZGDEGDKBC-UHFFFAOYSA-N
XLogP2.08
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240461
2-cyclopropyl-4-octoxy-1H-pyrimidin-6-one
CID 103240502
4-[(1-aminocyclopentyl)methoxy]-2-ethyl-1H-pyrimidin-6-one
CID 113604878
4-[(1-aminocyclopentyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604879
4-cycloheptyloxy-2-cyclopropyl-1H-pyrimidin-6-one
CID 113792722
4-(cyclohexylmethoxy)-2-cyclopropyl-1H-pyrimidin-6-one
CID 113792759
4-(cycloheptylmethoxy)-2-methyl-1H-pyrimidin-6-one
CID 114248368
4-[(1-aminocyclopentyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one
CID 114586463
4-[(1-aminocyclohexyl)methoxy]-2-ethyl-1H-pyrimidin-6-one
CID 114586470
4-[(1-aminocyclohexyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one
CID 114586471
4-[(1-aminocyclohexyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 114586472
4-[(1-aminocyclohexyl)methoxy]-2-methyl-1H-pyrimidin-6-one
CID 114586475

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocycloheptyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-aminocycloheptyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one (CID 114586497) is 4-[(1-aminocycloheptyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-aminocycloheptyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-aminocycloheptyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one is NC1(COc2cc(=O)[nH]c(C3CC3)n2)CCCCCC1.
What is the InChIKey of 4-[(1-aminocycloheptyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is HOLQOZGDEGDKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-15(7-3-1-2-4-8-15)10-20-13-9-12(19)17-14(18-13)11-5-6-11/h9,11H,1-8,10,16H2,(H,17,18,19).
What are the key properties of 4-[(1-aminocycloheptyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one?
4-[(1-aminocycloheptyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 277.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocycloheptyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).