2-chloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine

C9H11ClN2 — CID 130906511

IUPAC2-chloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine
SMILESCC1(C)CCc2cnc(Cl)nc21
InChIInChI=1S/C9H11ClN2/c1-9(2)4-3-6-5-11-8(10)12-7(6)9/h5H,3-4H2,1-2H3
InChIKeyGIWRABFCMJZROS-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.35
Rot. Bonds

About 2-chloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine

2-chloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine (PubChem CID 130906511) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 2-chloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-chloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine
PubChem CID130906511
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name2-chloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine
SMILESCC1(C)CCc2cnc(Cl)nc21
InChIInChI=1S/C9H11ClN2/c1-9(2)4-3-6-5-11-8(10)12-7(6)9/h5H,3-4H2,1-2H3
InChIKeyGIWRABFCMJZROS-UHFFFAOYSA-N
XLogP2.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine?
The IUPAC name of 2-chloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine (CID 130906511) is 2-chloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine.
What is the SMILES notation for 2-chloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine?
The canonical SMILES for 2-chloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine is CC1(C)CCc2cnc(Cl)nc21.
What is the InChIKey of 2-chloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine?
The InChIKey is GIWRABFCMJZROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c1-9(2)4-3-6-5-11-8(10)12-7(6)9/h5H,3-4H2,1-2H3.
What are the key properties of 2-chloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine?
2-chloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine has a molecular weight of 182.65 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine is sourced from PubChem (CID 130906511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).