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

C11H17N3O2 — CID 114586582

IUPAC4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one
SMILESNC1CCCCCC1Oc1cc(=O)[nH]cn1
InChIInChI=1S/C11H17N3O2/c12-8-4-2-1-3-5-9(8)16-11-6-10(15)13-7-14-11/h6-9H,1-5,12H2,(H,13,14,15)
InChIKeyQDZDMSNLSYJCDH-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.81
Rot. Bonds2

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

4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one (PubChem CID 114586582) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one
PubChem CID114586582
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one
SMILESNC1CCCCCC1Oc1cc(=O)[nH]cn1
InChIInChI=1S/C11H17N3O2/c12-8-4-2-1-3-5-9(8)16-11-6-10(15)13-7-14-11/h6-9H,1-5,12H2,(H,13,14,15)
InChIKeyQDZDMSNLSYJCDH-UHFFFAOYSA-N
XLogP0.81
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminocycloheptyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 91021757
4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634633
4-(4-aminocyclohexyl)oxy-1H-pyrimidin-6-one
CID 102729370
4-octan-2-yloxy-1H-pyrimidin-6-one
CID 103240416
4-cycloheptyloxy-1H-pyrimidin-6-one
CID 103241371
4-(2-aminocycloheptyl)oxy-2-ethyl-1H-pyrimidin-6-one
CID 113604900
4-(2-aminocycloheptyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 113604901
4-(2-aminocycloheptyl)oxy-2-methyl-1H-pyrimidin-6-one
CID 113604902
4-[(1-aminocycloheptyl)methoxy]-1H-pyrimidin-6-one
CID 114586495
4-(2-aminocycloheptyl)oxy-5-chloro-1H-pyrimidin-6-one
CID 114586581
4-(2-aminocycloheptyl)oxy-5-bromo-1H-pyrimidin-6-one
CID 114586585
5-amino-4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one
CID 114586586

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one (CID 114586582) is 4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one is NC1CCCCCC1Oc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one?
The InChIKey is QDZDMSNLSYJCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-8-4-2-1-3-5-9(8)16-11-6-10(15)13-7-14-11/h6-9H,1-5,12H2,(H,13,14,15).
What are the key properties of 4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one?
4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminocycloheptyl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).