4-[(1-aminocyclohexyl)methoxy]-1H-pyrimidin-6-one

C11H17N3O2 — CID 114586469

IUPAC4-[(1-aminocyclohexyl)methoxy]-1H-pyrimidin-6-one
SMILESNC1(COc2cc(=O)[nH]cn2)CCCCC1
InChIInChI=1S/C11H17N3O2/c12-11(4-2-1-3-5-11)7-16-10-6-9(15)13-8-14-10/h6,8H,1-5,7,12H2,(H,13,14,15)
InChIKeyBCCVCDQPOQJOGW-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.81
Rot. Bonds3

About 4-[(1-aminocyclohexyl)methoxy]-1H-pyrimidin-6-one

4-[(1-aminocyclohexyl)methoxy]-1H-pyrimidin-6-one (PubChem CID 114586469) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[(1-aminocyclohexyl)methoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-aminocyclohexyl)methoxy]-1H-pyrimidin-6-one
PubChem CID114586469
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[(1-aminocyclohexyl)methoxy]-1H-pyrimidin-6-one
SMILESNC1(COc2cc(=O)[nH]cn2)CCCCC1
InChIInChI=1S/C11H17N3O2/c12-11(4-2-1-3-5-11)7-16-10-6-9(15)13-8-14-10/h6,8H,1-5,7,12H2,(H,13,14,15)
InChIKeyBCCVCDQPOQJOGW-UHFFFAOYSA-N
XLogP0.81
TPSA81.00 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 ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Cyclohexylmethoxy)pyrimidin-4-ol
CID 103241610
4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240464
4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240648
4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240658
4-[(1-aminocyclohexyl)methoxy]-5-bromo-1H-pyrimidin-6-one
CID 113604881
4-[(1-aminocyclohexyl)methoxy]-5-iodo-1H-pyrimidin-6-one
CID 113604882
4-[(1-aminocyclopentyl)methoxy]-1H-pyrimidin-6-one
CID 114586462
4-[(1-aminocyclohexyl)methoxy]-5-chloro-1H-pyrimidin-6-one
CID 114586468
4-[(1-aminocyclohexyl)methoxy]-5-methoxy-1H-pyrimidin-6-one
CID 114586473
5-amino-4-[(1-aminocyclohexyl)methoxy]-1H-pyrimidin-6-one
CID 114586474
4-[(1-aminocyclohexyl)methoxy]-2-methyl-1H-pyrimidin-6-one
CID 114586475
4-(2-amino-2-ethylbutoxy)-1H-pyrimidin-6-one
CID 114586477

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclohexyl)methoxy]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-aminocyclohexyl)methoxy]-1H-pyrimidin-6-one (CID 114586469) is 4-[(1-aminocyclohexyl)methoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-aminocyclohexyl)methoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-aminocyclohexyl)methoxy]-1H-pyrimidin-6-one is NC1(COc2cc(=O)[nH]cn2)CCCCC1.
What is the InChIKey of 4-[(1-aminocyclohexyl)methoxy]-1H-pyrimidin-6-one?
The InChIKey is BCCVCDQPOQJOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-11(4-2-1-3-5-11)7-16-10-6-9(15)13-8-14-10/h6,8H,1-5,7,12H2,(H,13,14,15).
What are the key properties of 4-[(1-aminocyclohexyl)methoxy]-1H-pyrimidin-6-one?
4-[(1-aminocyclohexyl)methoxy]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclohexyl)methoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114586469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).