5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-propan-2-ylpyrimidine

C13H12BrCl2N3 — CID 114205763

IUPAC5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-propan-2-ylpyrimidine
SMILESCC(C)c1nc(-c2ncc(Cl)cc2Cl)ncc1CBr
InChIInChI=1S/C13H12BrCl2N3/c1-7(2)11-8(4-14)5-18-13(19-11)12-10(16)3-9(15)6-17-12/h3,5-7H,4H2,1-2H3
InChIKeyMGHOWZVSDOIGGE-UHFFFAOYSA-N
MW361.07 g/mol
LogP4.86
Rot. Bonds3

About 5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-propan-2-ylpyrimidine

5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-propan-2-ylpyrimidine (PubChem CID 114205763) has the molecular formula C13H12BrCl2N3 and a molecular weight of 361.07 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-propan-2-ylpyrimidine
PubChem CID114205763
Molecular FormulaC13H12BrCl2N3
Molecular Weight361.07 g/mol
Exact Mass358.96
IUPAC Name5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-propan-2-ylpyrimidine
SMILESCC(C)c1nc(-c2ncc(Cl)cc2Cl)ncc1CBr
InChIInChI=1S/C13H12BrCl2N3/c1-7(2)11-8(4-14)5-18-13(19-11)12-10(16)3-9(15)6-17-12/h3,5-7H,4H2,1-2H3
InChIKeyMGHOWZVSDOIGGE-UHFFFAOYSA-N
XLogP4.86
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.07
LogP ≤ 54.86
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-(3,5-dichloro-2-pyridinyl)-4-(difluoromethyl)pyrimidine
CID 114205871
5-bromo-2-(3,5-dichloro-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 79779927
2-(3,5-dichloro-2-pyridinyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 79780014
5-(chloromethyl)-2-(3,5-dichloro-2-pyridinyl)-4-ethylpyrimidine
CID 114205364
(1R)-1-[2-(3,5-dichloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431234
2-(3,5-dichloro-2-pyridinyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 79780012
2-(3,5-dichloro-2-pyridinyl)pyrimidin-5-amine
CID 79786246
1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 79780767
5-(bromomethyl)-N-methyl-4-propan-2-ylpyrimidin-2-amine
CID 130483355
5-bromo-4-chloro-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine
CID 79786506
(1R)-1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901729
N-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
CID 79786155

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-propan-2-ylpyrimidine?
The IUPAC name of 5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-propan-2-ylpyrimidine (CID 114205763) is 5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-propan-2-ylpyrimidine.
What is the SMILES notation for 5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-propan-2-ylpyrimidine?
The canonical SMILES for 5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-propan-2-ylpyrimidine is CC(C)c1nc(-c2ncc(Cl)cc2Cl)ncc1CBr.
What is the InChIKey of 5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-propan-2-ylpyrimidine?
The InChIKey is MGHOWZVSDOIGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrCl2N3/c1-7(2)11-8(4-14)5-18-13(19-11)12-10(16)3-9(15)6-17-12/h3,5-7H,4H2,1-2H3.
What are the key properties of 5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-propan-2-ylpyrimidine?
5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-propan-2-ylpyrimidine has a molecular weight of 361.07 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-propan-2-ylpyrimidine is sourced from PubChem (CID 114205763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).