5-(chloromethyl)-2-(2,2-dimethylcyclopropyl)pyrimidine

C10H13ClN2 — CID 107924251

IUPAC5-(chloromethyl)-2-(2,2-dimethylcyclopropyl)pyrimidine
SMILESCC1(C)CC1c1ncc(CCl)cn1
InChIInChI=1S/C10H13ClN2/c1-10(2)3-8(10)9-12-5-7(4-11)6-13-9/h5-6,8H,3-4H2,1-2H3
InChIKeyVSCXJSOTUKDPDD-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.73
Rot. Bonds2

About 5-(chloromethyl)-2-(2,2-dimethylcyclopropyl)pyrimidine

5-(chloromethyl)-2-(2,2-dimethylcyclopropyl)pyrimidine (PubChem CID 107924251) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(2,2-dimethylcyclopropyl)pyrimidine.

Molecular Properties

Compound Name5-(chloromethyl)-2-(2,2-dimethylcyclopropyl)pyrimidine
PubChem CID107924251
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name5-(chloromethyl)-2-(2,2-dimethylcyclopropyl)pyrimidine
SMILESCC1(C)CC1c1ncc(CCl)cn1
InChIInChI=1S/C10H13ClN2/c1-10(2)3-8(10)9-12-5-7(4-11)6-13-9/h5-6,8H,3-4H2,1-2H3
InChIKeyVSCXJSOTUKDPDD-UHFFFAOYSA-N
XLogP2.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(2,2-dimethylcyclopropyl)pyrimidine?
The IUPAC name of 5-(chloromethyl)-2-(2,2-dimethylcyclopropyl)pyrimidine (CID 107924251) is 5-(chloromethyl)-2-(2,2-dimethylcyclopropyl)pyrimidine.
What is the SMILES notation for 5-(chloromethyl)-2-(2,2-dimethylcyclopropyl)pyrimidine?
The canonical SMILES for 5-(chloromethyl)-2-(2,2-dimethylcyclopropyl)pyrimidine is CC1(C)CC1c1ncc(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-2-(2,2-dimethylcyclopropyl)pyrimidine?
The InChIKey is VSCXJSOTUKDPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-10(2)3-8(10)9-12-5-7(4-11)6-13-9/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 5-(chloromethyl)-2-(2,2-dimethylcyclopropyl)pyrimidine?
5-(chloromethyl)-2-(2,2-dimethylcyclopropyl)pyrimidine has a molecular weight of 196.68 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(2,2-dimethylcyclopropyl)pyrimidine is sourced from PubChem (CID 107924251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).