5-(chloromethyl)-2-(3-methylfuran-2-yl)pyrimidine

C10H9ClN2O — CID 104807244

IUPAC5-(chloromethyl)-2-(3-methylfuran-2-yl)pyrimidine
SMILESCc1ccoc1-c1ncc(CCl)cn1
InChIInChI=1S/C10H9ClN2O/c1-7-2-3-14-9(7)10-12-5-8(4-11)6-13-10/h2-3,5-6H,4H2,1H3
InChIKeyVPMJZHOHACDWGA-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.78
Rot. Bonds2

About 5-(chloromethyl)-2-(3-methylfuran-2-yl)pyrimidine

5-(chloromethyl)-2-(3-methylfuran-2-yl)pyrimidine (PubChem CID 104807244) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(3-methylfuran-2-yl)pyrimidine.

Molecular Properties

Compound Name5-(chloromethyl)-2-(3-methylfuran-2-yl)pyrimidine
PubChem CID104807244
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name5-(chloromethyl)-2-(3-methylfuran-2-yl)pyrimidine
SMILESCc1ccoc1-c1ncc(CCl)cn1
InChIInChI=1S/C10H9ClN2O/c1-7-2-3-14-9(7)10-12-5-8(4-11)6-13-10/h2-3,5-6H,4H2,1H3
InChIKeyVPMJZHOHACDWGA-UHFFFAOYSA-N
XLogP2.78
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.78
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-(chloromethyl)-3-(3-methylfuran-2-yl)-1,2,4-oxadiazole
CID 104797636
5-(2-chloroethyl)-3-(3-methylfuran-2-yl)-1,2,4-oxadiazole
CID 104797638
N-[[4-methyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 114206488
5-(chloromethyl)-2-(2,6-dimethyl-4-pyridinyl)pyrimidine
CID 107504527
5-ethyl-2-(3-methylfuran-2-yl)-1,3-thiazole
CID 104808043
5-(chloromethyl)-2-(4-methoxyphenyl)pyrimidine
CID 62756442
5-(chloromethyl)-2-(1-methylpyrazol-3-yl)pyrimidine
CID 65198161
N-[[2-(3-methylfuran-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 113455494
6-ethyl-5-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-amine
CID 104806721
2-bromo-5-(chloromethyl)pyrimidine
CID 133054042
2-(3-methylfuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 104806519
3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propanoic acid
CID 104806262

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(3-methylfuran-2-yl)pyrimidine?
The IUPAC name of 5-(chloromethyl)-2-(3-methylfuran-2-yl)pyrimidine (CID 104807244) is 5-(chloromethyl)-2-(3-methylfuran-2-yl)pyrimidine.
What is the SMILES notation for 5-(chloromethyl)-2-(3-methylfuran-2-yl)pyrimidine?
The canonical SMILES for 5-(chloromethyl)-2-(3-methylfuran-2-yl)pyrimidine is Cc1ccoc1-c1ncc(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-2-(3-methylfuran-2-yl)pyrimidine?
The InChIKey is VPMJZHOHACDWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-7-2-3-14-9(7)10-12-5-8(4-11)6-13-10/h2-3,5-6H,4H2,1H3.
What are the key properties of 5-(chloromethyl)-2-(3-methylfuran-2-yl)pyrimidine?
5-(chloromethyl)-2-(3-methylfuran-2-yl)pyrimidine has a molecular weight of 208.65 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(3-methylfuran-2-yl)pyrimidine is sourced from PubChem (CID 104807244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).