5-(aminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one

C10H15N3O2 — CID 82507785

IUPAC5-(aminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESNCc1cnc(CC2CCCO2)[nH]c1=O
InChIInChI=1S/C10H15N3O2/c11-5-7-6-12-9(13-10(7)14)4-8-2-1-3-15-8/h6,8H,1-5,11H2,(H,12,13,14)
InChIKeyHYMMEBYVUJAGFQ-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.05
Rot. Bonds3

About 5-(aminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one

5-(aminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 82507785) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID82507785
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name5-(aminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESNCc1cnc(CC2CCCO2)[nH]c1=O
InChIInChI=1S/C10H15N3O2/c11-5-7-6-12-9(13-10(7)14)4-8-2-1-3-15-8/h6,8H,1-5,11H2,(H,12,13,14)
InChIKeyHYMMEBYVUJAGFQ-UHFFFAOYSA-N
XLogP-0.05
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 43654587
5-iodo-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 66314917
5-bromo-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 66315115
6-oxo-2-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carbonitrile
CID 104189800
5-(aminomethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 104189931
5-(aminomethyl)-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 104189992
5-(aminomethyl)-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 104189996
5-(aminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104253721
5-(aminomethyl)-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 104253722
5-(methylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 114206191
5-(ethylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 114206240
2-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 114206298

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(aminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one (CID 82507785) is 5-(aminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(aminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(aminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one is NCc1cnc(CC2CCCO2)[nH]c1=O.
What is the InChIKey of 5-(aminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is HYMMEBYVUJAGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-5-7-6-12-9(13-10(7)14)4-8-2-1-3-15-8/h6,8H,1-5,11H2,(H,12,13,14).
What are the key properties of 5-(aminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
5-(aminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 82507785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).