4-ethenyl-3-[(Z,2R)-2-ethenyl-2-methyl-3-propan-2-ylhex-4-enyl]-1-methyl-2-propan-2-yl-6-[(Z)-prop-1-enyl]-2,4-dihydropyrimidine

C25H42N2 — CID 126516010

About 4-ethenyl-3-[(Z,2R)-2-ethenyl-2-methyl-3-propan-2-ylhex-4-enyl]-1-methyl-2-propan-2-yl-6-[(Z)-prop-1-enyl]-2,4-dihydropyrimidine

4-ethenyl-3-[(Z,2R)-2-ethenyl-2-methyl-3-propan-2-ylhex-4-enyl]-1-methyl-2-propan-2-yl-6-[(Z)-prop-1-enyl]-2,4-dihydropyrimidine (PubChem CID 126516010) has the molecular formula C25H42N2 and a molecular weight of 370.63 g/mol. Its IUPAC name is 4-ethenyl-3-[(Z,2R)-2-ethenyl-2-methyl-3-propan-2-ylhex-4-enyl]-1-methyl-2-propan-2-yl-6-[(Z)-prop-1-enyl]-2,4-dihydropyrimidine.

Molecular Properties

• Compound Name: 4-ethenyl-3-[(Z,2R)-2-ethenyl-2-methyl-3-propan-2-ylhex-4-enyl]-1-methyl-2-propan-2-yl-6-[(Z)-prop-1-enyl]-2,4-dihydropyrimidine
• PubChem CID: 126516010
• Molecular Formula: C25H42N2
• Molecular Weight: 370.63 g/mol
• Exact Mass: 370.33
• IUPAC Name: 4-ethenyl-3-[(Z,2R)-2-ethenyl-2-methyl-3-propan-2-ylhex-4-enyl]-1-methyl-2-propan-2-yl-6-[(Z)-prop-1-enyl]-2,4-dihydropyrimidine
• SMILES: C=CC1C=C(/C=C\C)N(C)C(C(C)C)N1C[C@](C)(C=C)C(/C=C\C)C(C)C
• InChI: InChI=1S/C25H42N2/c1-11-15-22-17-21(13-3)27(24(20(7)8)26(22)10)18-25(9,14-4)23(16-12-2)19(5)6/h11-17,19-21,23-24H,3-4,18H2,1-2,5-10H3/b15-11-,16-12-/t21?,23?,24?,25-/m0/s1
• InChIKey: PLTHOWLJRYCXPN-WLBVQRLVSA-N
• XLogP: 6.27
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	370.63
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-[(Z,2R)-2-ethenyl-2-methyl-3-propan-2-ylhex-4-enyl]-1-methyl-2-propan-2-yl-6-[(Z)-prop-1-enyl]-2,4-dihydropyrimidine?

The IUPAC name of 4-ethenyl-3-[(Z,2R)-2-ethenyl-2-methyl-3-propan-2-ylhex-4-enyl]-1-methyl-2-propan-2-yl-6-[(Z)-prop-1-enyl]-2,4-dihydropyrimidine (CID 126516010) is 4-ethenyl-3-[(Z,2R)-2-ethenyl-2-methyl-3-propan-2-ylhex-4-enyl]-1-methyl-2-propan-2-yl-6-[(Z)-prop-1-enyl]-2,4-dihydropyrimidine.

What is the SMILES notation for 4-ethenyl-3-[(Z,2R)-2-ethenyl-2-methyl-3-propan-2-ylhex-4-enyl]-1-methyl-2-propan-2-yl-6-[(Z)-prop-1-enyl]-2,4-dihydropyrimidine?

The canonical SMILES for 4-ethenyl-3-[(Z,2R)-2-ethenyl-2-methyl-3-propan-2-ylhex-4-enyl]-1-methyl-2-propan-2-yl-6-[(Z)-prop-1-enyl]-2,4-dihydropyrimidine is C=CC1C=C(/C=C\C)N(C)C(C(C)C)N1C[C@](C)(C=C)C(/C=C\C)C(C)C.

What is the InChIKey of 4-ethenyl-3-[(Z,2R)-2-ethenyl-2-methyl-3-propan-2-ylhex-4-enyl]-1-methyl-2-propan-2-yl-6-[(Z)-prop-1-enyl]-2,4-dihydropyrimidine?

The InChIKey is PLTHOWLJRYCXPN-WLBVQRLVSA-N. The full InChI is InChI=1S/C25H42N2/c1-11-15-22-17-21(13-3)27(24(20(7)8)26(22)10)18-25(9,14-4)23(16-12-2)19(5)6/h11-17,19-21,23-24H,3-4,18H2,1-2,5-10H3/b15-11-,16-12-/t21?,23?,24?,25-/m0/s1.

What are the key properties of 4-ethenyl-3-[(Z,2R)-2-ethenyl-2-methyl-3-propan-2-ylhex-4-enyl]-1-methyl-2-propan-2-yl-6-[(Z)-prop-1-enyl]-2,4-dihydropyrimidine?

4-ethenyl-3-[(Z,2R)-2-ethenyl-2-methyl-3-propan-2-ylhex-4-enyl]-1-methyl-2-propan-2-yl-6-[(Z)-prop-1-enyl]-2,4-dihydropyrimidine has a molecular weight of 370.63 g/mol, XLogP of 6.27, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethenyl-3-[(Z,2R)-2-ethenyl-2-methyl-3-propan-2-ylhex-4-enyl]-1-methyl-2-propan-2-yl-6-[(Z)-prop-1-enyl]-2,4-dihydropyrimidine is sourced from PubChem (CID 126516010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).