2,4-dichloro-5-methyl-7H-cyclopenta[d]pyrimidine

C8H6Cl2N2 — CID 59073944

IUPAC2,4-dichloro-5-methyl-7H-cyclopenta[d]pyrimidine
SMILESCC1=CCc2nc(Cl)nc(Cl)c21
InChIInChI=1S/C8H6Cl2N2/c1-4-2-3-5-6(4)7(9)12-8(10)11-5/h2H,3H2,1H3
InChIKeyCPEATVXAFCAQMM-UHFFFAOYSA-N
MW201.06 g/mol
LogP2.74
Rot. Bonds

About 2,4-dichloro-5-methyl-7H-cyclopenta[d]pyrimidine

2,4-dichloro-5-methyl-7H-cyclopenta[d]pyrimidine (PubChem CID 59073944) has the molecular formula C8H6Cl2N2 and a molecular weight of 201.06 g/mol. Its IUPAC name is 2,4-dichloro-5-methyl-7H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-methyl-7H-cyclopenta[d]pyrimidine
PubChem CID59073944
Molecular FormulaC8H6Cl2N2
Molecular Weight201.06 g/mol
Exact Mass199.99
IUPAC Name2,4-dichloro-5-methyl-7H-cyclopenta[d]pyrimidine
SMILESCC1=CCc2nc(Cl)nc(Cl)c21
InChIInChI=1S/C8H6Cl2N2/c1-4-2-3-5-6(4)7(9)12-8(10)11-5/h2H,3H2,1H3
InChIKeyCPEATVXAFCAQMM-UHFFFAOYSA-N
XLogP2.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dichloro-5-methyl-6-phenylpyrimidine
CID 12685528
2,4-dichloro-5H,6H,7H-cyclopenta(d)pyrimidine
CID 231331
4-chloro-2-methyl-5H,6H,7H-cyclopenta(d)pyrimidine
CID 351135
2,4-dichloro-7,7-dimethyl-5H,6H,7H-cyclopenta(d)pyrimidine
CID 79863309
2,4-dichloro-6,6-dimethyl-5H,6H,7H-cyclopenta[d]pyrimidine
CID 84682407
2,4-Dichloro-5-(1-methylethyl)-6-(phenylmethyl)pyrimidine
CID 10826651
2,4-Dichloro-6-ethyl-5-propan-2-ylpyrimidine
CID 10513045
4-Benzyl-2,6-dichloro-5-ethylpyrimidine
CID 10683225
2,4-Dichloro-6-[(3,5-dimethylphenyl)methyl]-5-ethylpyrimidine
CID 10851371
4-Benzyl-2,5,6-trichloropyrimidine
CID 134987035
(E)-2,4-dichloro-6-styrylpyrimidine
CID 11064861
2,4-Dichloro-5,6-diethylpyrimidine
CID 22951070

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-methyl-7H-cyclopenta[d]pyrimidine?
The IUPAC name of 2,4-dichloro-5-methyl-7H-cyclopenta[d]pyrimidine (CID 59073944) is 2,4-dichloro-5-methyl-7H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-5-methyl-7H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2,4-dichloro-5-methyl-7H-cyclopenta[d]pyrimidine is CC1=CCc2nc(Cl)nc(Cl)c21.
What is the InChIKey of 2,4-dichloro-5-methyl-7H-cyclopenta[d]pyrimidine?
The InChIKey is CPEATVXAFCAQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2/c1-4-2-3-5-6(4)7(9)12-8(10)11-5/h2H,3H2,1H3.
What are the key properties of 2,4-dichloro-5-methyl-7H-cyclopenta[d]pyrimidine?
2,4-dichloro-5-methyl-7H-cyclopenta[d]pyrimidine has a molecular weight of 201.06 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-methyl-7H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 59073944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).