4-(2-aminocycloheptyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one

C14H21N3O2 — CID 114586583

IUPAC4-(2-aminocycloheptyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNC1CCCCCC1Oc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H21N3O2/c15-10-4-2-1-3-5-11(10)19-13-8-12(18)16-14(17-13)9-6-7-9/h8-11H,1-7,15H2,(H,16,17,18)
InChIKeyCEHDLSUXIAUAPP-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.69
Rot. Bonds3

About 4-(2-aminocycloheptyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one

4-(2-aminocycloheptyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 114586583) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(2-aminocycloheptyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-aminocycloheptyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID114586583
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-(2-aminocycloheptyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNC1CCCCCC1Oc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H21N3O2/c15-10-4-2-1-3-5-11(10)19-13-8-12(18)16-14(17-13)9-6-7-9/h8-11H,1-7,15H2,(H,16,17,18)
InChIKeyCEHDLSUXIAUAPP-UHFFFAOYSA-N
XLogP1.69
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminocycloheptyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-aminocycloheptyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one (CID 114586583) is 4-(2-aminocycloheptyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-aminocycloheptyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-aminocycloheptyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one is NC1CCCCCC1Oc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 4-(2-aminocycloheptyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is CEHDLSUXIAUAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-10-4-2-1-3-5-11(10)19-13-8-12(18)16-14(17-13)9-6-7-9/h8-11H,1-7,15H2,(H,16,17,18).
What are the key properties of 4-(2-aminocycloheptyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one?
4-(2-aminocycloheptyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminocycloheptyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).