5-(aminomethyl)-2-(1-ethoxycycloheptyl)-1H-pyrimidin-6-one

C14H23N3O2 — CID 116782623

IUPAC5-(aminomethyl)-2-(1-ethoxycycloheptyl)-1H-pyrimidin-6-one
SMILESCCOC1(c2ncc(CN)c(=O)[nH]2)CCCCCC1
InChIInChI=1S/C14H23N3O2/c1-2-19-14(7-5-3-4-6-8-14)13-16-10-11(9-15)12(18)17-13/h10H,2-9,15H2,1H3,(H,16,17,18)
InChIKeyADMHEKOIYWZLKD-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.81
Rot. Bonds4

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

5-(aminomethyl)-2-(1-ethoxycycloheptyl)-1H-pyrimidin-6-one (PubChem CID 116782623) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(1-ethoxycycloheptyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-(1-ethoxycycloheptyl)-1H-pyrimidin-6-one
PubChem CID116782623
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-(aminomethyl)-2-(1-ethoxycycloheptyl)-1H-pyrimidin-6-one
SMILESCCOC1(c2ncc(CN)c(=O)[nH]2)CCCCCC1
InChIInChI=1S/C14H23N3O2/c1-2-19-14(7-5-3-4-6-8-14)13-16-10-11(9-15)12(18)17-13/h10H,2-9,15H2,1H3,(H,16,17,18)
InChIKeyADMHEKOIYWZLKD-UHFFFAOYSA-N
XLogP1.81
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 104189966
5-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104612126
5-bromo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 113559573
5-bromo-2-(1-ethoxycycloheptyl)-1H-pyrimidin-6-one
CID 113559574
5-(aminomethyl)-2-(1-ethoxycyclopentyl)-1H-pyrimidin-6-one
CID 113563477
5-(aminomethyl)-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 113563478
5-(hydroxymethyl)-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 114204927
5-(chloromethyl)-2-(1-ethoxycycloheptyl)-1H-pyrimidin-6-one
CID 114205215
5-(bromomethyl)-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 114205549
2-(1-ethoxycyclopentyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206192
2-(1-methoxycyclopentyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206201
2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 116744915

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(1-ethoxycycloheptyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(aminomethyl)-2-(1-ethoxycycloheptyl)-1H-pyrimidin-6-one (CID 116782623) is 5-(aminomethyl)-2-(1-ethoxycycloheptyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(aminomethyl)-2-(1-ethoxycycloheptyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(aminomethyl)-2-(1-ethoxycycloheptyl)-1H-pyrimidin-6-one is CCOC1(c2ncc(CN)c(=O)[nH]2)CCCCCC1.
What is the InChIKey of 5-(aminomethyl)-2-(1-ethoxycycloheptyl)-1H-pyrimidin-6-one?
The InChIKey is ADMHEKOIYWZLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-19-14(7-5-3-4-6-8-14)13-16-10-11(9-15)12(18)17-13/h10H,2-9,15H2,1H3,(H,16,17,18).
What are the key properties of 5-(aminomethyl)-2-(1-ethoxycycloheptyl)-1H-pyrimidin-6-one?
5-(aminomethyl)-2-(1-ethoxycycloheptyl)-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(1-ethoxycycloheptyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116782623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).