4-cyclobutylidene-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-ethyl-6-methylidene-3-pyridinyl]-N-(2,3-dimethylpentyl)-N-propylpyrido[1,2-a]pyrimidin-7-amine

C37H54N4 — CID 170020732

About 4-cyclobutylidene-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-ethyl-6-methylidene-3-pyridinyl]-N-(2,3-dimethylpentyl)-N-propylpyrido[1,2-a]pyrimidin-7-amine

4-cyclobutylidene-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-ethyl-6-methylidene-3-pyridinyl]-N-(2,3-dimethylpentyl)-N-propylpyrido[1,2-a]pyrimidin-7-amine (PubChem CID 170020732) has the molecular formula C37H54N4 and a molecular weight of 554.87 g/mol. Its IUPAC name is 4-cyclobutylidene-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-ethyl-6-methylidene-3-pyridinyl]-N-(2,3-dimethylpentyl)-N-propylpyrido[1,2-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 4-cyclobutylidene-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-ethyl-6-methylidene-3-pyridinyl]-N-(2,3-dimethylpentyl)-N-propylpyrido[1,2-a]pyrimidin-7-amine
• PubChem CID: 170020732
• Molecular Formula: C37H54N4
• Molecular Weight: 554.87 g/mol
• Exact Mass: 554.43
• IUPAC Name: 4-cyclobutylidene-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-ethyl-6-methylidene-3-pyridinyl]-N-(2,3-dimethylpentyl)-N-propylpyrido[1,2-a]pyrimidin-7-amine
• SMILES: C=C1C(CC)=CC(C2=CC(=C3CCC3)N3C=C(N(CCC)CC(C)C(C)CC)C=CC3=N2)=CN1/C=C(/C)C(C)CC
• InChI: InChI=1S/C37H54N4/c1-10-19-39(22-28(7)26(5)11-2)34-17-18-37-38-35(21-36(41(37)25-34)32-15-14-16-32)33-20-31(13-4)30(9)40(24-33)23-29(8)27(6)12-3/h17-18,20-21,23-28H,9-16,19,22H2,1-8H3/b29-23-
• InChIKey: JJLGASHEGFYWPV-FAJYDZGRSA-N
• XLogP: 9.83
• TPSA: 22.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.87
LogP ≤ 5	9.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutylidene-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-ethyl-6-methylidene-3-pyridinyl]-N-(2,3-dimethylpentyl)-N-propylpyrido[1,2-a]pyrimidin-7-amine?

The IUPAC name of 4-cyclobutylidene-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-ethyl-6-methylidene-3-pyridinyl]-N-(2,3-dimethylpentyl)-N-propylpyrido[1,2-a]pyrimidin-7-amine (CID 170020732) is 4-cyclobutylidene-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-ethyl-6-methylidene-3-pyridinyl]-N-(2,3-dimethylpentyl)-N-propylpyrido[1,2-a]pyrimidin-7-amine.

What is the SMILES notation for 4-cyclobutylidene-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-ethyl-6-methylidene-3-pyridinyl]-N-(2,3-dimethylpentyl)-N-propylpyrido[1,2-a]pyrimidin-7-amine?

The canonical SMILES for 4-cyclobutylidene-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-ethyl-6-methylidene-3-pyridinyl]-N-(2,3-dimethylpentyl)-N-propylpyrido[1,2-a]pyrimidin-7-amine is C=C1C(CC)=CC(C2=CC(=C3CCC3)N3C=C(N(CCC)CC(C)C(C)CC)C=CC3=N2)=CN1/C=C(/C)C(C)CC.

What is the InChIKey of 4-cyclobutylidene-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-ethyl-6-methylidene-3-pyridinyl]-N-(2,3-dimethylpentyl)-N-propylpyrido[1,2-a]pyrimidin-7-amine?

The InChIKey is JJLGASHEGFYWPV-FAJYDZGRSA-N. The full InChI is InChI=1S/C37H54N4/c1-10-19-39(22-28(7)26(5)11-2)34-17-18-37-38-35(21-36(41(37)25-34)32-15-14-16-32)33-20-31(13-4)30(9)40(24-33)23-29(8)27(6)12-3/h17-18,20-21,23-28H,9-16,19,22H2,1-8H3/b29-23-.

What are the key properties of 4-cyclobutylidene-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-ethyl-6-methylidene-3-pyridinyl]-N-(2,3-dimethylpentyl)-N-propylpyrido[1,2-a]pyrimidin-7-amine?

4-cyclobutylidene-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-ethyl-6-methylidene-3-pyridinyl]-N-(2,3-dimethylpentyl)-N-propylpyrido[1,2-a]pyrimidin-7-amine has a molecular weight of 554.87 g/mol, XLogP of 9.83, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclobutylidene-2-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-ethyl-6-methylidene-3-pyridinyl]-N-(2,3-dimethylpentyl)-N-propylpyrido[1,2-a]pyrimidin-7-amine is sourced from PubChem (CID 170020732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).