7-(2,4-dimethylphenyl)-2,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine

C17H20N2 — CID 141107797

IUPAC7-(2,4-dimethylphenyl)-2,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine
SMILESCc1ccc(C2(C)CCc3cnc(C)nc32)c(C)c1
InChIInChI=1S/C17H20N2/c1-11-5-6-15(12(2)9-11)17(4)8-7-14-10-18-13(3)19-16(14)17/h5-6,9-10H,7-8H2,1-4H3
InChIKeyMILUVYWUDPZQQK-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.65
Rot. Bonds1

About 7-(2,4-dimethylphenyl)-2,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine

7-(2,4-dimethylphenyl)-2,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine (PubChem CID 141107797) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 7-(2,4-dimethylphenyl)-2,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine.

Molecular Properties

Compound Name7-(2,4-dimethylphenyl)-2,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine
PubChem CID141107797
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name7-(2,4-dimethylphenyl)-2,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine
SMILESCc1ccc(C2(C)CCc3cnc(C)nc32)c(C)c1
InChIInChI=1S/C17H20N2/c1-11-5-6-15(12(2)9-11)17(4)8-7-14-10-18-13(3)19-16(14)17/h5-6,9-10H,7-8H2,1-4H3
InChIKeyMILUVYWUDPZQQK-UHFFFAOYSA-N
XLogP3.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dimethylphenyl)-2,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine?
The IUPAC name of 7-(2,4-dimethylphenyl)-2,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine (CID 141107797) is 7-(2,4-dimethylphenyl)-2,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine.
What is the SMILES notation for 7-(2,4-dimethylphenyl)-2,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine?
The canonical SMILES for 7-(2,4-dimethylphenyl)-2,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine is Cc1ccc(C2(C)CCc3cnc(C)nc32)c(C)c1.
What is the InChIKey of 7-(2,4-dimethylphenyl)-2,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine?
The InChIKey is MILUVYWUDPZQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-11-5-6-15(12(2)9-11)17(4)8-7-14-10-18-13(3)19-16(14)17/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 7-(2,4-dimethylphenyl)-2,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine?
7-(2,4-dimethylphenyl)-2,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine has a molecular weight of 252.36 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dimethylphenyl)-2,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine is sourced from PubChem (CID 141107797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).