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

C11H17N3O2 — CID 136773866

IUPAC4-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(CN)cc(=O)[nH]2)CCCC1
InChIInChI=1S/C11H17N3O2/c1-16-11(4-2-3-5-11)10-13-8(7-12)6-9(15)14-10/h6H,2-5,7,12H2,1H3,(H,13,14,15)
InChIKeyPUHPGZMBEBPJEU-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.64
Rot. Bonds3

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

4-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one (PubChem CID 136773866) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
PubChem CID136773866
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(CN)cc(=O)[nH]2)CCCC1
InChIInChI=1S/C11H17N3O2/c1-16-11(4-2-3-5-11)10-13-8(7-12)6-9(15)14-10/h6H,2-5,7,12H2,1H3,(H,13,14,15)
InChIKeyPUHPGZMBEBPJEU-UHFFFAOYSA-N
XLogP0.64
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
CID 136773823
2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609905
2-(1-ethoxycyclopentyl)-1H-pyrimidin-6-one
CID 116744921
2-cyclopentyl-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
CID 136095487
4-[(2-methoxyethylamino)methyl]-2-(3-methylcyclopentyl)-1H-pyrimidin-6-one
CID 136249997
2-(3-ethylcyclopentyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
CID 136252057
4-(aminomethyl)-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 136279383
4-(aminomethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136288564
4-(methylaminomethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136288565
4-(ethylaminomethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136288566
2-(2-methyloxan-2-yl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136288568
2-(2-methyloxan-2-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136288572

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one (CID 136773866) is 4-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one is COC1(c2nc(CN)cc(=O)[nH]2)CCCC1.
What is the InChIKey of 4-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The InChIKey is PUHPGZMBEBPJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-16-11(4-2-3-5-11)10-13-8(7-12)6-9(15)14-10/h6H,2-5,7,12H2,1H3,(H,13,14,15).
What are the key properties of 4-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
4-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136773866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).