5-(ethylaminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one

C12H19N3O2 — CID 114206228

IUPAC5-(ethylaminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
SMILESCCNCc1cnc(C2(C)CCCO2)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-3-13-7-9-8-14-11(15-10(9)16)12(2)5-4-6-17-12/h8,13H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyLGVXJHUYUDNWKR-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.90
Rot. Bonds4

About 5-(ethylaminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one

5-(ethylaminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one (PubChem CID 114206228) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(ethylaminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
PubChem CID114206228
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-(ethylaminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
SMILESCCNCc1cnc(C2(C)CCCO2)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-3-13-7-9-8-14-11(15-10(9)16)12(2)5-4-6-17-12/h8,13H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyLGVXJHUYUDNWKR-UHFFFAOYSA-N
XLogP0.90
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 80167116
5-iodo-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 80167391
2-(2-methyloxolan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 104189773
5-(aminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 104189929
5-(aminomethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 104189966
5-(aminomethyl)-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 104189996
5-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104612126
2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 110849535
5-(aminomethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 113563476
5-(aminomethyl)-2-(1-ethoxycyclopentyl)-1H-pyrimidin-6-one
CID 113563477
2-(4-methoxyoxan-4-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206190
2-(1-ethoxycyclopentyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206192

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(ethylaminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one (CID 114206228) is 5-(ethylaminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(ethylaminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(ethylaminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one is CCNCc1cnc(C2(C)CCCO2)[nH]c1=O.
What is the InChIKey of 5-(ethylaminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is LGVXJHUYUDNWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-13-7-9-8-14-11(15-10(9)16)12(2)5-4-6-17-12/h8,13H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 5-(ethylaminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one?
5-(ethylaminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114206228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).