4-(2-aminoethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one

C12H19N3O2 — CID 136773865

IUPAC4-(2-aminoethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(CCN)cc(=O)[nH]2)CCCC1
InChIInChI=1S/C12H19N3O2/c1-17-12(5-2-3-6-12)11-14-9(4-7-13)8-10(16)15-11/h8H,2-7,13H2,1H3,(H,14,15,16)
InChIKeyZAWBDBDXMSICQD-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.69
Rot. Bonds4

About 4-(2-aminoethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one

4-(2-aminoethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one (PubChem CID 136773865) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
PubChem CID136773865
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-(2-aminoethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(CCN)cc(=O)[nH]2)CCCC1
InChIInChI=1S/C12H19N3O2/c1-17-12(5-2-3-6-12)11-14-9(4-7-13)8-10(16)15-11/h8H,2-7,13H2,1H3,(H,14,15,16)
InChIKeyZAWBDBDXMSICQD-UHFFFAOYSA-N
XLogP0.69
TPSA81.00 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 ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287887
2-(2-methyloxolan-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 136297971
4-ethyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 136297975
2-(2-methyloxolan-2-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136297978
4-(2-aminoethyl)-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 136303865
4-(2-aminoethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136303895
4-(2-aminoethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 136303904
4-cyclopentyl-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 136729406
4-cyclopentyl-2-(1-ethoxyethyl)-1H-pyrimidin-6-one
CID 136729507
4-cyclopentyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136729567
4-cyclopentyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 136729590
2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
CID 136773811

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-aminoethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one (CID 136773865) is 4-(2-aminoethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-aminoethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-aminoethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one is COC1(c2nc(CCN)cc(=O)[nH]2)CCCC1.
What is the InChIKey of 4-(2-aminoethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The InChIKey is ZAWBDBDXMSICQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-17-12(5-2-3-6-12)11-14-9(4-7-13)8-10(16)15-11/h8H,2-7,13H2,1H3,(H,14,15,16).
What are the key properties of 4-(2-aminoethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
4-(2-aminoethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136773865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).