5-bromo-2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one

C13H19BrN2O2 — CID 136951896

IUPAC5-bromo-2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C(C)C)c(Br)c(=O)[nH]2)CCCC1
InChIInChI=1S/C13H19BrN2O2/c1-8(2)10-9(14)11(17)16-12(15-10)13(18-3)6-4-5-7-13/h8H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyTXPHHXZGVWTCSR-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.07
Rot. Bonds3

About 5-bromo-2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one

5-bromo-2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136951896) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 5-bromo-2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136951896
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name5-bromo-2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C(C)C)c(Br)c(=O)[nH]2)CCCC1
InChIInChI=1S/C13H19BrN2O2/c1-8(2)10-9(14)11(17)16-12(15-10)13(18-3)6-4-5-7-13/h8H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyTXPHHXZGVWTCSR-UHFFFAOYSA-N
XLogP3.07
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(1-ethoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136963992
5-bromo-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
CID 136773826
5-bromo-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705746
2-(1-methoxycycloheptyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 136963734
5-bromo-2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136964025
5-bromo-2-(1-methoxycyclohexyl)-4-propyl-1H-pyrimidin-6-one
CID 136963886
5-iodo-2-(4-methoxyoxan-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136964011
5-bromo-2-(4-methoxyoxan-4-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136964103
2-(1-ethoxycycloheptyl)-5-iodo-4-propan-2-yl-1H-pyrimidin-6-one
CID 136964013
4-amino-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one
CID 136960402
2-(1-methoxycyclopentyl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 136773820
5-bromo-2-(1-ethoxycyclohexyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136964105

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one (CID 136951896) is 5-bromo-2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one is COC1(c2nc(C(C)C)c(Br)c(=O)[nH]2)CCCC1.
What is the InChIKey of 5-bromo-2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is TXPHHXZGVWTCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-8(2)10-9(14)11(17)16-12(15-10)13(18-3)6-4-5-7-13/h8H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 5-bromo-2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one?
5-bromo-2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 315.21 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-methoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136951896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).