4-amino-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one

C13H21N3O2 — CID 136960402

IUPAC4-amino-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(N)c(C)c(=O)[nH]2)CCCCCC1
InChIInChI=1S/C13H21N3O2/c1-9-10(14)15-12(16-11(9)17)13(18-2)7-5-3-4-6-8-13/h3-8H2,1-2H3,(H3,14,15,16,17)
InChIKeyGRBMODZHVNYXHR-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.86
Rot. Bonds2

About 4-amino-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one

4-amino-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 136960402) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-amino-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID136960402
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-amino-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(N)c(C)c(=O)[nH]2)CCCCCC1
InChIInChI=1S/C13H21N3O2/c1-9-10(14)15-12(16-11(9)17)13(18-2)7-5-3-4-6-8-13/h3-8H2,1-2H3,(H3,14,15,16,17)
InChIKeyGRBMODZHVNYXHR-UHFFFAOYSA-N
XLogP1.86
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methoxycycloheptyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 136963734
5-bromo-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
CID 136773826
2-(1-methoxycyclopentyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764326
2-(1-methoxycyclopentyl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 136773820
2-(1-methoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one
CID 136963554
4-amino-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 136773806
4-ethyl-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 136963968
5-bromo-2-(1-methoxycyclohexyl)-4-propyl-1H-pyrimidin-6-one
CID 136963886
5-bromo-2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136964025
5-bromo-2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136951896
4-amino-2-(1-ethoxycyclohexyl)-5-propyl-1H-pyrimidin-6-one
CID 136960446
5-bromo-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705746

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one (CID 136960402) is 4-amino-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one is COC1(c2nc(N)c(C)c(=O)[nH]2)CCCCCC1.
What is the InChIKey of 4-amino-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is GRBMODZHVNYXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-10(14)15-12(16-11(9)17)13(18-2)7-5-3-4-6-8-13/h3-8H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 4-amino-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one?
4-amino-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136960402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).