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

C13H21N3O2 — CID 116782628

IUPAC5-(aminomethyl)-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
SMILESCCOC1(c2ncc(CN)c(=O)[nH]2)CCCCC1
InChIInChI=1S/C13H21N3O2/c1-2-18-13(6-4-3-5-7-13)12-15-9-10(8-14)11(17)16-12/h9H,2-8,14H2,1H3,(H,15,16,17)
InChIKeyCZTDCGLROBJQFI-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.42
Rot. Bonds4

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

5-(aminomethyl)-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one (PubChem CID 116782628) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
PubChem CID116782628
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-(aminomethyl)-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
SMILESCCOC1(c2ncc(CN)c(=O)[nH]2)CCCCC1
InChIInChI=1S/C13H21N3O2/c1-2-18-13(6-4-3-5-7-13)12-15-9-10(8-14)11(17)16-12/h9H,2-8,14H2,1H3,(H,15,16,17)
InChIKeyCZTDCGLROBJQFI-UHFFFAOYSA-N
XLogP1.42
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104612126
2-(1-ethoxycyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 113559537
2-(1-ethoxycyclohexyl)-5-iodo-1H-pyrimidin-6-one
CID 113559579
2-(1-ethoxycyclohexyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 113563473
2-(1-methoxy-4-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 113563474
5-(aminomethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 113563476
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-(bromomethyl)-2-(1-ethoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 114205556
5-(bromomethyl)-2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 114205562

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(aminomethyl)-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one (CID 116782628) is 5-(aminomethyl)-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(aminomethyl)-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(aminomethyl)-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one is CCOC1(c2ncc(CN)c(=O)[nH]2)CCCCC1.
What is the InChIKey of 5-(aminomethyl)-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one?
The InChIKey is CZTDCGLROBJQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-18-13(6-4-3-5-7-13)12-15-9-10(8-14)11(17)16-12/h9H,2-8,14H2,1H3,(H,15,16,17).
What are the key properties of 5-(aminomethyl)-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one?
5-(aminomethyl)-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.42, 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-ethoxycyclohexyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116782628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).