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

C14H23N3O2 — CID 114586496

IUPAC4-[(1-aminocycloheptyl)methoxy]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(OCC2(N)CCCCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-2-11-16-12(18)9-13(17-11)19-10-14(15)7-5-3-4-6-8-14/h9H,2-8,10,15H2,1H3,(H,16,17,18)
InChIKeyQNSQDNRZHPWLEM-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.76
Rot. Bonds4

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

4-[(1-aminocycloheptyl)methoxy]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 114586496) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[(1-aminocycloheptyl)methoxy]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-aminocycloheptyl)methoxy]-2-ethyl-1H-pyrimidin-6-one
PubChem CID114586496
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[(1-aminocycloheptyl)methoxy]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(OCC2(N)CCCCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-2-11-16-12(18)9-13(17-11)19-10-14(15)7-5-3-4-6-8-14/h9H,2-8,10,15H2,1H3,(H,16,17,18)
InChIKeyQNSQDNRZHPWLEM-UHFFFAOYSA-N
XLogP1.76
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240463
4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240467
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-(cycloheptylmethoxy)-2-methyl-1H-pyrimidin-6-one
CID 114248368
4-[(1-aminocyclopentyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one
CID 114586463
4-[(1-aminocyclopentyl)methoxy]-2-methyl-1H-pyrimidin-6-one
CID 114586466
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
4-[(1-aminocycloheptyl)methoxy]-2-cyclopropyl-1H-pyrimidin-6-one
CID 114586497

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocycloheptyl)methoxy]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-aminocycloheptyl)methoxy]-2-ethyl-1H-pyrimidin-6-one (CID 114586496) is 4-[(1-aminocycloheptyl)methoxy]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-aminocycloheptyl)methoxy]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-aminocycloheptyl)methoxy]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(OCC2(N)CCCCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[(1-aminocycloheptyl)methoxy]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is QNSQDNRZHPWLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-11-16-12(18)9-13(17-11)19-10-14(15)7-5-3-4-6-8-14/h9H,2-8,10,15H2,1H3,(H,16,17,18).
What are the key properties of 4-[(1-aminocycloheptyl)methoxy]-2-ethyl-1H-pyrimidin-6-one?
4-[(1-aminocycloheptyl)methoxy]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.76, 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-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).