2-benzyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxylic acid

C16H16N2O2 — CID 115049967

IUPAC2-benzyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxylic acid
SMILESCC1(C(=O)O)CCc2cnc(Cc3ccccc3)nc21
InChIInChI=1S/C16H16N2O2/c1-16(15(19)20)8-7-12-10-17-13(18-14(12)16)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,19,20)
InChIKeyHJHFTWBEZURJNC-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.36
Rot. Bonds3

About 2-benzyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxylic acid

2-benzyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxylic acid (PubChem CID 115049967) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-benzyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name2-benzyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxylic acid
PubChem CID115049967
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-benzyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxylic acid
SMILESCC1(C(=O)O)CCc2cnc(Cc3ccccc3)nc21
InChIInChI=1S/C16H16N2O2/c1-16(15(19)20)8-7-12-10-17-13(18-14(12)16)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,19,20)
InChIKeyHJHFTWBEZURJNC-UHFFFAOYSA-N
XLogP2.36
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxylic acid?
The IUPAC name of 2-benzyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxylic acid (CID 115049967) is 2-benzyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 2-benzyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 2-benzyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxylic acid is CC1(C(=O)O)CCc2cnc(Cc3ccccc3)nc21.
What is the InChIKey of 2-benzyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxylic acid?
The InChIKey is HJHFTWBEZURJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-16(15(19)20)8-7-12-10-17-13(18-14(12)16)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,19,20).
What are the key properties of 2-benzyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxylic acid?
2-benzyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxylic acid has a molecular weight of 268.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 115049967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).