5-(bromomethyl)-4-cyclopropyl-2-(3-methyl-2-pyridinyl)pyrimidine

C14H14BrN3 — CID 114205826

IUPAC5-(bromomethyl)-4-cyclopropyl-2-(3-methyl-2-pyridinyl)pyrimidine
SMILESCc1cccnc1-c1ncc(CBr)c(C2CC2)n1
InChIInChI=1S/C14H14BrN3/c1-9-3-2-6-16-12(9)14-17-8-11(7-15)13(18-14)10-4-5-10/h2-3,6,8,10H,4-5,7H2,1H3
InChIKeyKDXRAEYCPQYFLI-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.62
Rot. Bonds3

About 5-(bromomethyl)-4-cyclopropyl-2-(3-methyl-2-pyridinyl)pyrimidine

5-(bromomethyl)-4-cyclopropyl-2-(3-methyl-2-pyridinyl)pyrimidine (PubChem CID 114205826) has the molecular formula C14H14BrN3 and a molecular weight of 304.19 g/mol. Its IUPAC name is 5-(bromomethyl)-4-cyclopropyl-2-(3-methyl-2-pyridinyl)pyrimidine.

Molecular Properties

Compound Name5-(bromomethyl)-4-cyclopropyl-2-(3-methyl-2-pyridinyl)pyrimidine
PubChem CID114205826
Molecular FormulaC14H14BrN3
Molecular Weight304.19 g/mol
Exact Mass303.04
IUPAC Name5-(bromomethyl)-4-cyclopropyl-2-(3-methyl-2-pyridinyl)pyrimidine
SMILESCc1cccnc1-c1ncc(CBr)c(C2CC2)n1
InChIInChI=1S/C14H14BrN3/c1-9-3-2-6-16-12(9)14-17-8-11(7-15)13(18-14)10-4-5-10/h2-3,6,8,10H,4-5,7H2,1H3
InChIKeyKDXRAEYCPQYFLI-UHFFFAOYSA-N
XLogP3.62
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.62
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-methyl-2-(3-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385127
4-cyclopropyl-2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739705
5-(azetidin-3-ylmethyl)-3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 64611874
N-[[4,6-dimethyl-2-(3-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62746699
2-(3-methyl-2-pyridinyl)pyrimidin-4-amine
CID 62192811
5-iodo-N-methyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine
CID 66302903
2-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-3-methylpyridine
CID 166993578
[4-cyclopropyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]methanol
CID 114205160
4-amino-2-(3-methyl-2-pyridinyl)pyrimidine-5-carboxamide
CID 116647886
2-cyclopropyl-3-methyl-4-[3-(3-methyl-2-pyridinyl)butyl]pyridine
CID 167203934
6-cyclopropyl-N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodopyrimidin-4-amine
CID 82733246
5-benzyl-2-methyl-4-piperidin-4-ylpyrimidine
CID 118759817

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-cyclopropyl-2-(3-methyl-2-pyridinyl)pyrimidine?
The IUPAC name of 5-(bromomethyl)-4-cyclopropyl-2-(3-methyl-2-pyridinyl)pyrimidine (CID 114205826) is 5-(bromomethyl)-4-cyclopropyl-2-(3-methyl-2-pyridinyl)pyrimidine.
What is the SMILES notation for 5-(bromomethyl)-4-cyclopropyl-2-(3-methyl-2-pyridinyl)pyrimidine?
The canonical SMILES for 5-(bromomethyl)-4-cyclopropyl-2-(3-methyl-2-pyridinyl)pyrimidine is Cc1cccnc1-c1ncc(CBr)c(C2CC2)n1.
What is the InChIKey of 5-(bromomethyl)-4-cyclopropyl-2-(3-methyl-2-pyridinyl)pyrimidine?
The InChIKey is KDXRAEYCPQYFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3/c1-9-3-2-6-16-12(9)14-17-8-11(7-15)13(18-14)10-4-5-10/h2-3,6,8,10H,4-5,7H2,1H3.
What are the key properties of 5-(bromomethyl)-4-cyclopropyl-2-(3-methyl-2-pyridinyl)pyrimidine?
5-(bromomethyl)-4-cyclopropyl-2-(3-methyl-2-pyridinyl)pyrimidine has a molecular weight of 304.19 g/mol, XLogP of 3.62, 3 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-(3-methyl-2-pyridinyl)pyrimidine is sourced from PubChem (CID 114205826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).