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

C14H21N3O2 — CID 114586514

IUPAC4-[2-(aminomethyl)cyclohexyl]oxy-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCC1CCCCC1Oc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H21N3O2/c15-8-10-3-1-2-4-11(10)19-13-7-12(18)16-14(17-13)9-5-6-9/h7,9-11H,1-6,8,15H2,(H,16,17,18)
InChIKeyCZGXTXFEWLMKPV-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.54
Rot. Bonds4

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

4-[2-(aminomethyl)cyclohexyl]oxy-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 114586514) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[2-(aminomethyl)cyclohexyl]oxy-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)cyclohexyl]oxy-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID114586514
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[2-(aminomethyl)cyclohexyl]oxy-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCC1CCCCC1Oc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H21N3O2/c15-8-10-3-1-2-4-11(10)19-13-7-12(18)16-14(17-13)9-5-6-9/h7,9-11H,1-6,8,15H2,(H,16,17,18)
InChIKeyCZGXTXFEWLMKPV-UHFFFAOYSA-N
XLogP1.54
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)cyclohexyl]oxy-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(aminomethyl)cyclohexyl]oxy-2-cyclopropyl-1H-pyrimidin-6-one (CID 114586514) is 4-[2-(aminomethyl)cyclohexyl]oxy-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(aminomethyl)cyclohexyl]oxy-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(aminomethyl)cyclohexyl]oxy-2-cyclopropyl-1H-pyrimidin-6-one is NCC1CCCCC1Oc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 4-[2-(aminomethyl)cyclohexyl]oxy-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is CZGXTXFEWLMKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-8-10-3-1-2-4-11(10)19-13-7-12(18)16-14(17-13)9-5-6-9/h7,9-11H,1-6,8,15H2,(H,16,17,18).
What are the key properties of 4-[2-(aminomethyl)cyclohexyl]oxy-2-cyclopropyl-1H-pyrimidin-6-one?
4-[2-(aminomethyl)cyclohexyl]oxy-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)cyclohexyl]oxy-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).