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

C11H17N3O2 — CID 102634633

IUPAC4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
SMILESCNC1CCCCC1Oc1cc(=O)[nH]cn1
InChIInChI=1S/C11H17N3O2/c1-12-8-4-2-3-5-9(8)16-11-6-10(15)13-7-14-11/h6-9,12H,2-5H2,1H3,(H,13,14,15)
InChIKeyDSGYCDLCNNEGDF-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.68
Rot. Bonds3

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

4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one (PubChem CID 102634633) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
PubChem CID102634633
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
SMILESCNC1CCCCC1Oc1cc(=O)[nH]cn1
InChIInChI=1S/C11H17N3O2/c1-12-8-4-2-3-5-9(8)16-11-6-10(15)13-7-14-11/h6-9,12H,2-5H2,1H3,(H,13,14,15)
InChIKeyDSGYCDLCNNEGDF-UHFFFAOYSA-N
XLogP0.68
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(methylamino)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 102634235
5-iodo-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634366
5-amino-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634382
5-bromo-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634696
2-cyclopropyl-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634714
5-methoxy-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634780
4-(4-aminocyclohexyl)oxy-1H-pyrimidin-6-one
CID 102729370
4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241701
4-(4-aminocyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 113604877
4-(2-aminocyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604904
2-methyl-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 113718780
2-ethyl-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 113718782

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one (CID 102634633) is 4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one is CNC1CCCCC1Oc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one?
The InChIKey is DSGYCDLCNNEGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-12-8-4-2-3-5-9(8)16-11-6-10(15)13-7-14-11/h6-9,12H,2-5H2,1H3,(H,13,14,15).
What are the key properties of 4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one?
4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 102634633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).