2,4-dichloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine

C9H10Cl2N2 — CID 79863309

IUPAC2,4-dichloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine
SMILESCC1(C)CCc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C9H10Cl2N2/c1-9(2)4-3-5-6(9)12-8(11)13-7(5)10/h3-4H2,1-2H3
InChIKeySNZVRPRZSBMBGV-UHFFFAOYSA-N
MW217.10 g/mol
LogP3.01
Rot. Bonds

About 2,4-dichloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine

2,4-dichloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine (PubChem CID 79863309) has the molecular formula C9H10Cl2N2 and a molecular weight of 217.10 g/mol. Its IUPAC name is 2,4-dichloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine
PubChem CID79863309
Molecular FormulaC9H10Cl2N2
Molecular Weight217.10 g/mol
Exact Mass216.02
IUPAC Name2,4-dichloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine
SMILESCC1(C)CCc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C9H10Cl2N2/c1-9(2)4-3-5-6(9)12-8(11)13-7(5)10/h3-4H2,1-2H3
InChIKeySNZVRPRZSBMBGV-UHFFFAOYSA-N
XLogP3.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.10
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine?
The IUPAC name of 2,4-dichloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine (CID 79863309) is 2,4-dichloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine?
The canonical SMILES for 2,4-dichloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine is CC1(C)CCc2c(Cl)nc(Cl)nc21.
What is the InChIKey of 2,4-dichloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine?
The InChIKey is SNZVRPRZSBMBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2/c1-9(2)4-3-5-6(9)12-8(11)13-7(5)10/h3-4H2,1-2H3.
What are the key properties of 2,4-dichloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine?
2,4-dichloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine has a molecular weight of 217.10 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine is sourced from PubChem (CID 79863309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).