4-(2-ethoxyphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C21H21N3O — CID 71276634

IUPAC4-(2-ethoxyphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCCOc1ccccc1-c1nc(-c2cccc(C)n2)nc2c1CCC2
InChIInChI=1S/C21H21N3O/c1-3-25-19-13-5-4-9-16(19)20-15-10-7-11-17(15)23-21(24-20)18-12-6-8-14(2)22-18/h4-6,8-9,12-13H,3,7,10-11H2,1-2H3
InChIKeyJTLVRNQEQBOYNJ-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.40
Rot. Bonds4

About 4-(2-ethoxyphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-(2-ethoxyphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 71276634) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID71276634
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name4-(2-ethoxyphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCCOc1ccccc1-c1nc(-c2cccc(C)n2)nc2c1CCC2
InChIInChI=1S/C21H21N3O/c1-3-25-19-13-5-4-9-16(19)20-15-10-7-11-17(15)23-21(24-20)18-12-6-8-14(2)22-18/h4-6,8-9,12-13H,3,7,10-11H2,1-2H3
InChIKeyJTLVRNQEQBOYNJ-UHFFFAOYSA-N
XLogP4.40
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-(2-ethoxyphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 71276634) is 4-(2-ethoxyphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-(2-ethoxyphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-(2-ethoxyphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is CCOc1ccccc1-c1nc(-c2cccc(C)n2)nc2c1CCC2.
What is the InChIKey of 4-(2-ethoxyphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is JTLVRNQEQBOYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-3-25-19-13-5-4-9-16(19)20-15-10-7-11-17(15)23-21(24-20)18-12-6-8-14(2)22-18/h4-6,8-9,12-13H,3,7,10-11H2,1-2H3.
What are the key properties of 4-(2-ethoxyphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-(2-ethoxyphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 331.42 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-2-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 71276634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).