5-amino-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one

C9H14N4O2 — CID 114586293

IUPAC5-amino-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
SMILESNc1c(OCC2CCCN2)nc[nH]c1=O
InChIInChI=1S/C9H14N4O2/c10-7-8(14)12-5-13-9(7)15-4-6-2-1-3-11-6/h5-6,11H,1-4,10H2,(H,12,13,14)
InChIKeyKLQNJQIAGWERIE-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.52
Rot. Bonds3

About 5-amino-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one

5-amino-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one (PubChem CID 114586293) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-amino-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
PubChem CID114586293
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name5-amino-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
SMILESNc1c(OCC2CCCN2)nc[nH]c1=O
InChIInChI=1S/C9H14N4O2/c10-7-8(14)12-5-13-9(7)15-4-6-2-1-3-11-6/h5-6,11H,1-4,10H2,(H,12,13,14)
InChIKeyKLQNJQIAGWERIE-UHFFFAOYSA-N
XLogP-0.52
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241424
5-amino-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
CID 113792727
5-chloro-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586287
4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586288
5-methoxy-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586291
5-bromo-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586292
5-iodo-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586295
5-amino-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586322
5-amino-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586422
5-amino-4-(2-aminocyclopentyl)oxy-1H-pyrimidin-6-one
CID 114586594
5-amino-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796357
5-amino-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781028

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one (CID 114586293) is 5-amino-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one is Nc1c(OCC2CCCN2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one?
The InChIKey is KLQNJQIAGWERIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-7-8(14)12-5-13-9(7)15-4-6-2-1-3-11-6/h5-6,11H,1-4,10H2,(H,12,13,14).
What are the key properties of 5-amino-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one?
5-amino-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one has a molecular weight of 210.24 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).