4-[[2-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-1H-pyrimidin-6-one

C13H21N3O3 — CID 114586524

IUPAC4-[[2-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OCC2CCCCC2CN)nc[nH]c1=O
InChIInChI=1S/C13H21N3O3/c1-18-11-12(17)15-8-16-13(11)19-7-10-5-3-2-4-9(10)6-14/h8-10H,2-7,14H2,1H3,(H,15,16,17)
InChIKeyPIHUIFBKSBAMCE-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.92
Rot. Bonds5

About 4-[[2-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-1H-pyrimidin-6-one

4-[[2-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 114586524) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[2-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-1H-pyrimidin-6-one
PubChem CID114586524
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-[[2-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OCC2CCCCC2CN)nc[nH]c1=O
InChIInChI=1S/C13H21N3O3/c1-18-11-12(17)15-8-16-13(11)19-7-10-5-3-2-4-9(10)6-14/h8-10H,2-7,14H2,1H3,(H,15,16,17)
InChIKeyPIHUIFBKSBAMCE-UHFFFAOYSA-N
XLogP0.92
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240514
5-methoxy-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240632
4-(2-ethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 103240644
4-(3,4-dimethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 103241713
4-(3-ethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 103241726
5-methoxy-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 113604875
4-[[2-(aminomethyl)cyclohexyl]methoxy]-5-iodo-1H-pyrimidin-6-one
CID 113604892
4-(2-ethylhexoxy)-5-methoxy-1H-pyrimidin-6-one
CID 113792603
5-methoxy-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 113792626
4-(cyclohexylmethoxy)-5-methoxy-1H-pyrimidin-6-one
CID 113792760
5-methoxy-4-[(3-methylcyclohexyl)methoxy]-1H-pyrimidin-6-one
CID 114197444
4-[(1-aminocyclohexyl)methoxy]-5-methoxy-1H-pyrimidin-6-one
CID 114586473

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[[2-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-1H-pyrimidin-6-one (CID 114586524) is 4-[[2-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[2-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[2-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-1H-pyrimidin-6-one is COc1c(OCC2CCCCC2CN)nc[nH]c1=O.
What is the InChIKey of 4-[[2-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is PIHUIFBKSBAMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-18-11-12(17)15-8-16-13(11)19-7-10-5-3-2-4-9(10)6-14/h8-10H,2-7,14H2,1H3,(H,15,16,17).
What are the key properties of 4-[[2-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-1H-pyrimidin-6-one?
4-[[2-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 267.33 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).