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

C14H23N3O2 — CID 136960403

IUPAC4-amino-2-(1-ethoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(N)c(C)c(=O)[nH]2)CCCCCC1
InChIInChI=1S/C14H23N3O2/c1-3-19-14(8-6-4-5-7-9-14)13-16-11(15)10(2)12(18)17-13/h3-9H2,1-2H3,(H3,15,16,17,18)
InChIKeyQFTLESKOHYYNNC-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.25
Rot. Bonds3

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

4-amino-2-(1-ethoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 136960403) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-amino-2-(1-ethoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(1-ethoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID136960403
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-amino-2-(1-ethoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(N)c(C)c(=O)[nH]2)CCCCCC1
InChIInChI=1S/C14H23N3O2/c1-3-19-14(8-6-4-5-7-9-14)13-16-11(15)10(2)12(18)17-13/h3-9H2,1-2H3,(H3,15,16,17,18)
InChIKeyQFTLESKOHYYNNC-UHFFFAOYSA-N
XLogP2.25
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-(1-methoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one
CID 136963824
2-(1-ethoxycycloheptyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963832
4-hydroxy-2-(1-methoxycyclohexyl)-5-methyl-1H-pyrimidin-6-one
CID 113559535
2-(1-ethoxycyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 113559537
5-bromo-2-(1-ethoxycycloheptyl)-1H-pyrimidin-6-one
CID 113559574
5-(chloromethyl)-2-(1-ethoxycycloheptyl)-1H-pyrimidin-6-one
CID 114205215
5-(bromomethyl)-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 114205549
2-(1-ethoxycycloheptyl)-1H-pyrimidin-6-one
CID 116744924
4-hydroxy-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 116745095
2-(1-ethoxycycloheptyl)-4-hydroxy-1H-pyrimidin-6-one
CID 116745103
4-hydroxy-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one
CID 116745112
2-(1-ethoxycyclopentyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 116745118

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-ethoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(1-ethoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one (CID 136960403) is 4-amino-2-(1-ethoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(1-ethoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(1-ethoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one is CCOC1(c2nc(N)c(C)c(=O)[nH]2)CCCCCC1.
What is the InChIKey of 4-amino-2-(1-ethoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is QFTLESKOHYYNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-19-14(8-6-4-5-7-9-14)13-16-11(15)10(2)12(18)17-13/h3-9H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 4-amino-2-(1-ethoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one?
4-amino-2-(1-ethoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-ethoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136960403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).