5-(bromomethyl)-4-cyclopropyl-2-(1-ethoxycyclopentyl)pyrimidine

C15H21BrN2O — CID 114205823

IUPAC5-(bromomethyl)-4-cyclopropyl-2-(1-ethoxycyclopentyl)pyrimidine
SMILESCCOC1(c2ncc(CBr)c(C3CC3)n2)CCCC1
InChIInChI=1S/C15H21BrN2O/c1-2-19-15(7-3-4-8-15)14-17-10-12(9-16)13(18-14)11-5-6-11/h10-11H,2-9H2,1H3
InChIKeyVIAKYYDEZXGOEF-UHFFFAOYSA-N
MW325.25 g/mol
LogP4.05
Rot. Bonds5

About 5-(bromomethyl)-4-cyclopropyl-2-(1-ethoxycyclopentyl)pyrimidine

5-(bromomethyl)-4-cyclopropyl-2-(1-ethoxycyclopentyl)pyrimidine (PubChem CID 114205823) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 5-(bromomethyl)-4-cyclopropyl-2-(1-ethoxycyclopentyl)pyrimidine.

Molecular Properties

Compound Name5-(bromomethyl)-4-cyclopropyl-2-(1-ethoxycyclopentyl)pyrimidine
PubChem CID114205823
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name5-(bromomethyl)-4-cyclopropyl-2-(1-ethoxycyclopentyl)pyrimidine
SMILESCCOC1(c2ncc(CBr)c(C3CC3)n2)CCCC1
InChIInChI=1S/C15H21BrN2O/c1-2-19-15(7-3-4-8-15)14-17-10-12(9-16)13(18-14)11-5-6-11/h10-11H,2-9H2,1H3
InChIKeyVIAKYYDEZXGOEF-UHFFFAOYSA-N
XLogP4.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(bromomethyl)-2-(4-ethoxyoxan-4-yl)-4-ethylpyrimidine
CID 114205724
6-cyclopropyl-2-(1-ethoxycycloheptyl)-5-iodopyrimidin-4-amine
CID 116777204
2-(1-ethoxycyclopentyl)-4-propan-2-ylpyrimidin-5-amine
CID 114207193
4-chloro-2-(1-ethoxycyclohexyl)-5-iodopyrimidine
CID 116746306
2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116775313
[2-(1-ethoxycyclopentyl)pyrimidin-4-yl]methanol
CID 116778981
5-(bromomethyl)-2-(1-methoxycyclohexyl)-4-propan-2-ylpyrimidine
CID 114205748
4-cyclopropyl-6-(1-ethoxycyclopentyl)-1,3,5-triazin-2-amine
CID 116781962
5-(aminomethyl)-2-(4-ethoxyoxan-4-yl)pyrimidin-4-amine
CID 116782235
6-cyclopropyl-2-(1-ethoxycycloheptyl)pyrimidin-4-amine
CID 116776273
2-(1-ethoxycycloheptyl)-4-ethylpyrimidine-5-carboxylic acid
CID 116775102
2-(1-ethoxycyclopentyl)pyrimidin-4-amine
CID 116775700

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-cyclopropyl-2-(1-ethoxycyclopentyl)pyrimidine?
The IUPAC name of 5-(bromomethyl)-4-cyclopropyl-2-(1-ethoxycyclopentyl)pyrimidine (CID 114205823) is 5-(bromomethyl)-4-cyclopropyl-2-(1-ethoxycyclopentyl)pyrimidine.
What is the SMILES notation for 5-(bromomethyl)-4-cyclopropyl-2-(1-ethoxycyclopentyl)pyrimidine?
The canonical SMILES for 5-(bromomethyl)-4-cyclopropyl-2-(1-ethoxycyclopentyl)pyrimidine is CCOC1(c2ncc(CBr)c(C3CC3)n2)CCCC1.
What is the InChIKey of 5-(bromomethyl)-4-cyclopropyl-2-(1-ethoxycyclopentyl)pyrimidine?
The InChIKey is VIAKYYDEZXGOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-2-19-15(7-3-4-8-15)14-17-10-12(9-16)13(18-14)11-5-6-11/h10-11H,2-9H2,1H3.
What are the key properties of 5-(bromomethyl)-4-cyclopropyl-2-(1-ethoxycyclopentyl)pyrimidine?
5-(bromomethyl)-4-cyclopropyl-2-(1-ethoxycyclopentyl)pyrimidine has a molecular weight of 325.25 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-4-cyclopropyl-2-(1-ethoxycyclopentyl)pyrimidine is sourced from PubChem (CID 114205823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).