5-bromo-2-(1-methoxycyclohexyl)-4-propyl-1H-pyrimidin-6-one

C14H21BrN2O2 — CID 136963886

IUPAC5-bromo-2-(1-methoxycyclohexyl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(C2(OC)CCCCC2)[nH]c(=O)c1Br
InChIInChI=1S/C14H21BrN2O2/c1-3-7-10-11(15)12(18)17-13(16-10)14(19-2)8-5-4-6-9-14/h3-9H2,1-2H3,(H,16,17,18)
InChIKeyNPSAQSZIUCVTID-UHFFFAOYSA-N
MW329.24 g/mol
LogP3.29
Rot. Bonds4

About 5-bromo-2-(1-methoxycyclohexyl)-4-propyl-1H-pyrimidin-6-one

5-bromo-2-(1-methoxycyclohexyl)-4-propyl-1H-pyrimidin-6-one (PubChem CID 136963886) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 5-bromo-2-(1-methoxycyclohexyl)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(1-methoxycyclohexyl)-4-propyl-1H-pyrimidin-6-one
PubChem CID136963886
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name5-bromo-2-(1-methoxycyclohexyl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(C2(OC)CCCCC2)[nH]c(=O)c1Br
InChIInChI=1S/C14H21BrN2O2/c1-3-7-10-11(15)12(18)17-13(16-10)14(19-2)8-5-4-6-9-14/h3-9H2,1-2H3,(H,16,17,18)
InChIKeyNPSAQSZIUCVTID-UHFFFAOYSA-N
XLogP3.29
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136964025
5-bromo-2-(1-ethoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one
CID 136963889
5-bromo-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
CID 136773826
4-ethyl-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 136963968
5-bromo-2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136951896
5-bromo-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705746
5-bromo-2-(1-ethoxycyclohexyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136964105
5-bromo-2-(4-methoxyoxan-4-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136964103
5-iodo-2-(1-methoxy-3-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one
CID 136963915
4-amino-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one
CID 136960402
5-bromo-4-tert-butyl-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
CID 136963928
2-(1-methoxycyclopentyl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 136773820

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-methoxycyclohexyl)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(1-methoxycyclohexyl)-4-propyl-1H-pyrimidin-6-one (CID 136963886) is 5-bromo-2-(1-methoxycyclohexyl)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(1-methoxycyclohexyl)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(1-methoxycyclohexyl)-4-propyl-1H-pyrimidin-6-one is CCCc1nc(C2(OC)CCCCC2)[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-2-(1-methoxycyclohexyl)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is NPSAQSZIUCVTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-3-7-10-11(15)12(18)17-13(16-10)14(19-2)8-5-4-6-9-14/h3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-2-(1-methoxycyclohexyl)-4-propyl-1H-pyrimidin-6-one?
5-bromo-2-(1-methoxycyclohexyl)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 329.24 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-methoxycyclohexyl)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136963886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).