N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidin-6-imine

C26H27N3 — CID 139208755

IUPACN-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidin-6-imine
SMILESCC(C)c1ccccc1C1=NCC/C(=N\Cc2ccc(-c3ccccc3)cc2)N1
InChIInChI=1S/C26H27N3/c1-19(2)23-10-6-7-11-24(23)26-27-17-16-25(29-26)28-18-20-12-14-22(15-13-20)21-8-4-3-5-9-21/h3-15,19H,16-18H2,1-2H3,(H,27,28,29)
InChIKeyHDAUDUGYMYCFAO-UHFFFAOYSA-N
MW381.52 g/mol
LogP5.82
Rot. Bonds5

About N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidin-6-imine

N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidin-6-imine (PubChem CID 139208755) has the molecular formula C26H27N3 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidin-6-imine.

Molecular Properties

Compound NameN-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidin-6-imine
PubChem CID139208755
Molecular FormulaC26H27N3
Molecular Weight381.52 g/mol
Exact Mass381.22
IUPAC NameN-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidin-6-imine
SMILESCC(C)c1ccccc1C1=NCC/C(=N\Cc2ccc(-c3ccccc3)cc2)N1
InChIInChI=1S/C26H27N3/c1-19(2)23-10-6-7-11-24(23)26-27-17-16-25(29-26)28-18-20-12-14-22(15-13-20)21-8-4-3-5-9-21/h3-15,19H,16-18H2,1-2H3,(H,27,28,29)
InChIKeyHDAUDUGYMYCFAO-UHFFFAOYSA-N
XLogP5.82
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidin-6-imine?
The IUPAC name of N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidin-6-imine (CID 139208755) is N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidin-6-imine.
What is the SMILES notation for N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidin-6-imine?
The canonical SMILES for N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidin-6-imine is CC(C)c1ccccc1C1=NCC/C(=N\Cc2ccc(-c3ccccc3)cc2)N1.
What is the InChIKey of N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidin-6-imine?
The InChIKey is HDAUDUGYMYCFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3/c1-19(2)23-10-6-7-11-24(23)26-27-17-16-25(29-26)28-18-20-12-14-22(15-13-20)21-8-4-3-5-9-21/h3-15,19H,16-18H2,1-2H3,(H,27,28,29).
What are the key properties of N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidin-6-imine?
N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidin-6-imine has a molecular weight of 381.52 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidin-6-imine is sourced from PubChem (CID 139208755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).