4-(2-aminocyclopentyl)oxy-1H-pyrimidin-6-one

C9H13N3O2 — CID 114586589

IUPAC4-(2-aminocyclopentyl)oxy-1H-pyrimidin-6-one
SMILESNC1CCCC1Oc1cc(=O)[nH]cn1
InChIInChI=1S/C9H13N3O2/c10-6-2-1-3-7(6)14-9-4-8(13)11-5-12-9/h4-7H,1-3,10H2,(H,11,12,13)
InChIKeyMINIPWJTOMKRLX-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.03
Rot. Bonds2

About 4-(2-aminocyclopentyl)oxy-1H-pyrimidin-6-one

4-(2-aminocyclopentyl)oxy-1H-pyrimidin-6-one (PubChem CID 114586589) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(2-aminocyclopentyl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-aminocyclopentyl)oxy-1H-pyrimidin-6-one
PubChem CID114586589
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-(2-aminocyclopentyl)oxy-1H-pyrimidin-6-one
SMILESNC1CCCC1Oc1cc(=O)[nH]cn1
InChIInChI=1S/C9H13N3O2/c10-6-2-1-3-7(6)14-9-4-8(13)11-5-12-9/h4-7H,1-3,10H2,(H,11,12,13)
InChIKeyMINIPWJTOMKRLX-UHFFFAOYSA-N
XLogP0.03
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopentyloxy-1H-pyrimidin-6-one
CID 103240528
4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586288
4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one
CID 114586563
4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one
CID 114586582
4-(2-aminocyclopentyl)oxy-5-chloro-1H-pyrimidin-6-one
CID 114586588
4-(2-aminocyclopentyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 114586592
4-(2-aminocyclopentyl)oxy-5-bromo-1H-pyrimidin-6-one
CID 114586593
5-amino-4-(2-aminocyclopentyl)oxy-1H-pyrimidin-6-one
CID 114586594
4-(2-aminocyclopentyl)oxy-2-methyl-1H-pyrimidin-6-one
CID 114586595
4-(2-aminocyclopentyl)oxy-5-iodo-1H-pyrimidin-6-one
CID 114586596
4-(2-aminocyclohexyl)oxy-1H-pyrimidin-6-one
CID 114586598
4-[(2-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136956536

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminocyclopentyl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-aminocyclopentyl)oxy-1H-pyrimidin-6-one (CID 114586589) is 4-(2-aminocyclopentyl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-aminocyclopentyl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-aminocyclopentyl)oxy-1H-pyrimidin-6-one is NC1CCCC1Oc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(2-aminocyclopentyl)oxy-1H-pyrimidin-6-one?
The InChIKey is MINIPWJTOMKRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-6-2-1-3-7(6)14-9-4-8(13)11-5-12-9/h4-7H,1-3,10H2,(H,11,12,13).
What are the key properties of 4-(2-aminocyclopentyl)oxy-1H-pyrimidin-6-one?
4-(2-aminocyclopentyl)oxy-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminocyclopentyl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).