2-(chloromethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine

C10H13ClN2 — CID 23080910

IUPAC2-(chloromethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine
SMILESCC1(C)CCc2cnc(CCl)nc21
InChIInChI=1S/C10H13ClN2/c1-10(2)4-3-7-6-12-8(5-11)13-9(7)10/h6H,3-5H2,1-2H3
InChIKeyQZKIQLONGANTKU-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.44
Rot. Bonds1

About 2-(chloromethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine

2-(chloromethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine (PubChem CID 23080910) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 2-(chloromethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-(chloromethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine
PubChem CID23080910
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name2-(chloromethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine
SMILESCC1(C)CCc2cnc(CCl)nc21
InChIInChI=1S/C10H13ClN2/c1-10(2)4-3-7-6-12-8(5-11)13-9(7)10/h6H,3-5H2,1-2H3
InChIKeyQZKIQLONGANTKU-UHFFFAOYSA-N
XLogP2.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.44
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 2-(chloromethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine?
The IUPAC name of 2-(chloromethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine (CID 23080910) is 2-(chloromethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine.
What is the SMILES notation for 2-(chloromethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine?
The canonical SMILES for 2-(chloromethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine is CC1(C)CCc2cnc(CCl)nc21.
What is the InChIKey of 2-(chloromethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine?
The InChIKey is QZKIQLONGANTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-10(2)4-3-7-6-12-8(5-11)13-9(7)10/h6H,3-5H2,1-2H3.
What are the key properties of 2-(chloromethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine?
2-(chloromethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine has a molecular weight of 196.68 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine is sourced from PubChem (CID 23080910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).