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

C15H25N3O2 — CID 114586498

IUPAC4-[(1-aminocycloheptyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCC2(N)CCCCCC2)cc(=O)[nH]1
InChIInChI=1S/C15H25N3O2/c1-11(2)14-17-12(19)9-13(18-14)20-10-15(16)7-5-3-4-6-8-15/h9,11H,3-8,10,16H2,1-2H3,(H,17,18,19)
InChIKeyDFVLWHQQPALRMV-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.32
Rot. Bonds4

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

4-[(1-aminocycloheptyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 114586498) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[(1-aminocycloheptyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-aminocycloheptyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID114586498
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-[(1-aminocycloheptyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCC2(N)CCCCCC2)cc(=O)[nH]1
InChIInChI=1S/C15H25N3O2/c1-11(2)14-17-12(19)9-13(18-14)20-10-15(16)7-5-3-4-6-8-15/h9,11H,3-8,10,16H2,1-2H3,(H,17,18,19)
InChIKeyDFVLWHQQPALRMV-UHFFFAOYSA-N
XLogP2.32
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.32
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-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240463
4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240467
4-octoxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240509
4-(cyclohexylmethoxy)-2-ethyl-1H-pyrimidin-6-one
CID 103241608
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-(2-amino-2-ethylbutoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604883
4-(cyclohexylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 113792761
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

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocycloheptyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-aminocycloheptyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one (CID 114586498) is 4-[(1-aminocycloheptyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-aminocycloheptyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-aminocycloheptyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(OCC2(N)CCCCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[(1-aminocycloheptyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is DFVLWHQQPALRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)14-17-12(19)9-13(18-14)20-10-15(16)7-5-3-4-6-8-15/h9,11H,3-8,10,16H2,1-2H3,(H,17,18,19).
What are the key properties of 4-[(1-aminocycloheptyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(1-aminocycloheptyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 279.38 g/mol, XLogP of 2.32, 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-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).