4-[(1-aminocyclopentyl)methoxy]-2-methyl-1H-pyrimidin-6-one

C11H17N3O2 — CID 114586466

IUPAC4-[(1-aminocyclopentyl)methoxy]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OCC2(N)CCCC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-8-13-9(15)6-10(14-8)16-7-11(12)4-2-3-5-11/h6H,2-5,7,12H2,1H3,(H,13,14,15)
InChIKeyDQEKDJOXGTWPBZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.73
Rot. Bonds3

About 4-[(1-aminocyclopentyl)methoxy]-2-methyl-1H-pyrimidin-6-one

4-[(1-aminocyclopentyl)methoxy]-2-methyl-1H-pyrimidin-6-one (PubChem CID 114586466) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[(1-aminocyclopentyl)methoxy]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-aminocyclopentyl)methoxy]-2-methyl-1H-pyrimidin-6-one
PubChem CID114586466
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[(1-aminocyclopentyl)methoxy]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OCC2(N)CCCC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-8-13-9(15)6-10(14-8)16-7-11(12)4-2-3-5-11/h6H,2-5,7,12H2,1H3,(H,13,14,15)
InChIKeyDQEKDJOXGTWPBZ-UHFFFAOYSA-N
XLogP0.73
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopentylmethoxy)-2-cyclopropyl-1H-pyrimidin-6-one
CID 103241761
4-(cyclopentylmethoxy)-2-methyl-1H-pyrimidin-6-one
CID 103241765
4-(cyclopentylmethoxy)-2-ethyl-1H-pyrimidin-6-one
CID 103241766
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-(2-ethylhexoxy)-2-methyl-1H-pyrimidin-6-one
CID 113792604
4-(cyclopentylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 113792784
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

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclopentyl)methoxy]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-aminocyclopentyl)methoxy]-2-methyl-1H-pyrimidin-6-one (CID 114586466) is 4-[(1-aminocyclopentyl)methoxy]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-aminocyclopentyl)methoxy]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-aminocyclopentyl)methoxy]-2-methyl-1H-pyrimidin-6-one is Cc1nc(OCC2(N)CCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[(1-aminocyclopentyl)methoxy]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is DQEKDJOXGTWPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-13-9(15)6-10(14-8)16-7-11(12)4-2-3-5-11/h6H,2-5,7,12H2,1H3,(H,13,14,15).
What are the key properties of 4-[(1-aminocyclopentyl)methoxy]-2-methyl-1H-pyrimidin-6-one?
4-[(1-aminocyclopentyl)methoxy]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclopentyl)methoxy]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).