5-amino-4-[2-(aminomethyl)cyclohexyl]oxy-1H-pyrimidin-6-one

C11H18N4O2 — CID 114586517

IUPAC5-amino-4-[2-(aminomethyl)cyclohexyl]oxy-1H-pyrimidin-6-one
SMILESNCC1CCCCC1Oc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H18N4O2/c12-5-7-3-1-2-4-8(7)17-11-9(13)10(16)14-6-15-11/h6-8H,1-5,12-13H2,(H,14,15,16)
InChIKeyAAAFYSIQRKYYMQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.25
Rot. Bonds3

About 5-amino-4-[2-(aminomethyl)cyclohexyl]oxy-1H-pyrimidin-6-one

5-amino-4-[2-(aminomethyl)cyclohexyl]oxy-1H-pyrimidin-6-one (PubChem CID 114586517) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-amino-4-[2-(aminomethyl)cyclohexyl]oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-(aminomethyl)cyclohexyl]oxy-1H-pyrimidin-6-one
PubChem CID114586517
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-amino-4-[2-(aminomethyl)cyclohexyl]oxy-1H-pyrimidin-6-one
SMILESNCC1CCCCC1Oc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H18N4O2/c12-5-7-3-1-2-4-8(7)17-11-9(13)10(16)14-6-15-11/h6-8H,1-5,12-13H2,(H,14,15,16)
InChIKeyAAAFYSIQRKYYMQ-UHFFFAOYSA-N
XLogP0.25
TPSA107.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-(aminomethyl)cyclohexyl]oxy-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-(aminomethyl)cyclohexyl]oxy-1H-pyrimidin-6-one (CID 114586517) is 5-amino-4-[2-(aminomethyl)cyclohexyl]oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-(aminomethyl)cyclohexyl]oxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-(aminomethyl)cyclohexyl]oxy-1H-pyrimidin-6-one is NCC1CCCCC1Oc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[2-(aminomethyl)cyclohexyl]oxy-1H-pyrimidin-6-one?
The InChIKey is AAAFYSIQRKYYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-5-7-3-1-2-4-8(7)17-11-9(13)10(16)14-6-15-11/h6-8H,1-5,12-13H2,(H,14,15,16).
What are the key properties of 5-amino-4-[2-(aminomethyl)cyclohexyl]oxy-1H-pyrimidin-6-one?
5-amino-4-[2-(aminomethyl)cyclohexyl]oxy-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-(aminomethyl)cyclohexyl]oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).