(2R)-6,6-dimethyl-2-(2-methylprop-1-enyl)-2,4-diphenyl-1,5-dihydropyrimidine

C22H26N2 — CID 139065652

IUPAC(2R)-6,6-dimethyl-2-(2-methylprop-1-enyl)-2,4-diphenyl-1,5-dihydropyrimidine
SMILESCC(C)=C[C@]1(c2ccccc2)N=C(c2ccccc2)CC(C)(C)N1
InChIInChI=1S/C22H26N2/c1-17(2)15-22(19-13-9-6-10-14-19)23-20(16-21(3,4)24-22)18-11-7-5-8-12-18/h5-15,24H,16H2,1-4H3/t22-/m0/s1
InChIKeyRXBIWGFXDHSIIV-QFIPXVFZSA-N
MW318.46 g/mol
LogP5.07
Rot. Bonds3

About (2R)-6,6-dimethyl-2-(2-methylprop-1-enyl)-2,4-diphenyl-1,5-dihydropyrimidine

(2R)-6,6-dimethyl-2-(2-methylprop-1-enyl)-2,4-diphenyl-1,5-dihydropyrimidine (PubChem CID 139065652) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (2R)-6,6-dimethyl-2-(2-methylprop-1-enyl)-2,4-diphenyl-1,5-dihydropyrimidine.

Molecular Properties

Compound Name(2R)-6,6-dimethyl-2-(2-methylprop-1-enyl)-2,4-diphenyl-1,5-dihydropyrimidine
PubChem CID139065652
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Name(2R)-6,6-dimethyl-2-(2-methylprop-1-enyl)-2,4-diphenyl-1,5-dihydropyrimidine
SMILESCC(C)=C[C@]1(c2ccccc2)N=C(c2ccccc2)CC(C)(C)N1
InChIInChI=1S/C22H26N2/c1-17(2)15-22(19-13-9-6-10-14-19)23-20(16-21(3,4)24-22)18-11-7-5-8-12-18/h5-15,24H,16H2,1-4H3/t22-/m0/s1
InChIKeyRXBIWGFXDHSIIV-QFIPXVFZSA-N
XLogP5.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-6,6-dimethyl-2-(2-methylprop-1-enyl)-2,4-diphenyl-1,5-dihydropyrimidine?
The IUPAC name of (2R)-6,6-dimethyl-2-(2-methylprop-1-enyl)-2,4-diphenyl-1,5-dihydropyrimidine (CID 139065652) is (2R)-6,6-dimethyl-2-(2-methylprop-1-enyl)-2,4-diphenyl-1,5-dihydropyrimidine.
What is the SMILES notation for (2R)-6,6-dimethyl-2-(2-methylprop-1-enyl)-2,4-diphenyl-1,5-dihydropyrimidine?
The canonical SMILES for (2R)-6,6-dimethyl-2-(2-methylprop-1-enyl)-2,4-diphenyl-1,5-dihydropyrimidine is CC(C)=C[C@]1(c2ccccc2)N=C(c2ccccc2)CC(C)(C)N1.
What is the InChIKey of (2R)-6,6-dimethyl-2-(2-methylprop-1-enyl)-2,4-diphenyl-1,5-dihydropyrimidine?
The InChIKey is RXBIWGFXDHSIIV-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26N2/c1-17(2)15-22(19-13-9-6-10-14-19)23-20(16-21(3,4)24-22)18-11-7-5-8-12-18/h5-15,24H,16H2,1-4H3/t22-/m0/s1.
What are the key properties of (2R)-6,6-dimethyl-2-(2-methylprop-1-enyl)-2,4-diphenyl-1,5-dihydropyrimidine?
(2R)-6,6-dimethyl-2-(2-methylprop-1-enyl)-2,4-diphenyl-1,5-dihydropyrimidine has a molecular weight of 318.46 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6,6-dimethyl-2-(2-methylprop-1-enyl)-2,4-diphenyl-1,5-dihydropyrimidine is sourced from PubChem (CID 139065652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).