4-(bromomethyl)-5-methyl-2-(oxolan-2-yl)pyrimidine

C10H13BrN2O — CID 130494146

IUPAC4-(bromomethyl)-5-methyl-2-(oxolan-2-yl)pyrimidine
SMILESCc1cnc(C2CCCO2)nc1CBr
InChIInChI=1S/C10H13BrN2O/c1-7-6-12-10(13-8(7)5-11)9-3-2-4-14-9/h6,9H,2-5H2,1H3
InChIKeyDEKSGYAZLNFVJD-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.53
Rot. Bonds2

About 4-(bromomethyl)-5-methyl-2-(oxolan-2-yl)pyrimidine

4-(bromomethyl)-5-methyl-2-(oxolan-2-yl)pyrimidine (PubChem CID 130494146) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 4-(bromomethyl)-5-methyl-2-(oxolan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-(bromomethyl)-5-methyl-2-(oxolan-2-yl)pyrimidine
PubChem CID130494146
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name4-(bromomethyl)-5-methyl-2-(oxolan-2-yl)pyrimidine
SMILESCc1cnc(C2CCCO2)nc1CBr
InChIInChI=1S/C10H13BrN2O/c1-7-6-12-10(13-8(7)5-11)9-3-2-4-14-9/h6,9H,2-5H2,1H3
InChIKeyDEKSGYAZLNFVJD-UHFFFAOYSA-N
XLogP2.53
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.53
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

N-[[4-methyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 114206491
4-methyl-2-(oxan-2-yl)pyrimidine-5-carboxylic acid
CID 165448964
5-(aminomethyl)-2-(oxolan-2-yl)pyrimidin-4-amine
CID 65330538
[2-(oxolan-2-yl)pyrimidin-5-yl]methanamine
CID 65328893
2-(oxolan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740598
N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65328670
N-[[4-cyclopropyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]ethanamine
CID 114206879
N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 65328671
2-cyclopropyl-4-ethyl-5-methylpyrimidine
CID 123992925
2-(oxan-2-yl)pyrimidin-5-amine
CID 126971971
[2-(oxolan-2-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81423847
N-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]oxan-4-amine
CID 124970450

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-methyl-2-(oxolan-2-yl)pyrimidine?
The IUPAC name of 4-(bromomethyl)-5-methyl-2-(oxolan-2-yl)pyrimidine (CID 130494146) is 4-(bromomethyl)-5-methyl-2-(oxolan-2-yl)pyrimidine.
What is the SMILES notation for 4-(bromomethyl)-5-methyl-2-(oxolan-2-yl)pyrimidine?
The canonical SMILES for 4-(bromomethyl)-5-methyl-2-(oxolan-2-yl)pyrimidine is Cc1cnc(C2CCCO2)nc1CBr.
What is the InChIKey of 4-(bromomethyl)-5-methyl-2-(oxolan-2-yl)pyrimidine?
The InChIKey is DEKSGYAZLNFVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-7-6-12-10(13-8(7)5-11)9-3-2-4-14-9/h6,9H,2-5H2,1H3.
What are the key properties of 4-(bromomethyl)-5-methyl-2-(oxolan-2-yl)pyrimidine?
4-(bromomethyl)-5-methyl-2-(oxolan-2-yl)pyrimidine has a molecular weight of 257.13 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-methyl-2-(oxolan-2-yl)pyrimidine is sourced from PubChem (CID 130494146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).