5-amino-4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one

C9H14N4O2 — CID 114586568

IUPAC5-amino-4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one
SMILESNc1c(OC2CCC(N)C2)nc[nH]c1=O
InChIInChI=1S/C9H14N4O2/c10-5-1-2-6(3-5)15-9-7(11)8(14)12-4-13-9/h4-6H,1-3,10-11H2,(H,12,13,14)
InChIKeyWBLQSDYNYZOBFI-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.39
Rot. Bonds2

About 5-amino-4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one

5-amino-4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one (PubChem CID 114586568) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-amino-4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one
PubChem CID114586568
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name5-amino-4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one
SMILESNc1c(OC2CCC(N)C2)nc[nH]c1=O
InChIInChI=1S/C9H14N4O2/c10-5-1-2-6(3-5)15-9-7(11)8(14)12-4-13-9/h4-6H,1-3,10-11H2,(H,12,13,14)
InChIKeyWBLQSDYNYZOBFI-UHFFFAOYSA-N
XLogP-0.39
TPSA107.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(4-aminocyclohexyl)oxy-1H-pyrimidin-6-one
CID 102729357
5-amino-4-cyclopentyloxy-1H-pyrimidin-6-one
CID 103240522
5-amino-4-[2-(aminomethyl)cyclopentyl]oxy-1H-pyrimidin-6-one
CID 114586508
5-amino-4-[3-(aminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one
CID 114586540
5-amino-4-(3-aminocyclobutyl)oxy-1H-pyrimidin-6-one
CID 114586550
4-(3-aminocyclopentyl)oxy-5-chloro-1H-pyrimidin-6-one
CID 114586562
4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one
CID 114586563
4-(3-aminocyclopentyl)oxy-5-bromo-1H-pyrimidin-6-one
CID 114586567
4-(3-aminocyclopentyl)oxy-5-iodo-1H-pyrimidin-6-one
CID 114586570
5-amino-4-(2-aminocyclopentyl)oxy-1H-pyrimidin-6-one
CID 114586594
5-amino-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136785540

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one (CID 114586568) is 5-amino-4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one is Nc1c(OC2CCC(N)C2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one?
The InChIKey is WBLQSDYNYZOBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-5-1-2-6(3-5)15-9-7(11)8(14)12-4-13-9/h4-6H,1-3,10-11H2,(H,12,13,14).
What are the key properties of 5-amino-4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one?
5-amino-4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one has a molecular weight of 210.24 g/mol, XLogP of -0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-aminocyclopentyl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).