N-(benzhydrylideneamino)-4,6-dimethylpyrimidin-2-amine

C19H18N4 — CID 4127730

IUPACN-(benzhydrylideneamino)-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NN=C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H18N4/c1-14-13-15(2)21-19(20-14)23-22-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13H,1-2H3,(H,20,21,23)
InChIKeyCCBMGCPPZDFKPQ-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.96
Rot. Bonds4

About N-(benzhydrylideneamino)-4,6-dimethylpyrimidin-2-amine

N-(benzhydrylideneamino)-4,6-dimethylpyrimidin-2-amine (PubChem CID 4127730) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-4,6-dimethylpyrimidin-2-amine
PubChem CID4127730
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC NameN-(benzhydrylideneamino)-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NN=C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H18N4/c1-14-13-15(2)21-19(20-14)23-22-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13H,1-2H3,(H,20,21,23)
InChIKeyCCBMGCPPZDFKPQ-UHFFFAOYSA-N
XLogP3.96
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-(benzhydrylideneamino)-4,6-dimethylpyrimidin-2-amine (CID 4127730) is N-(benzhydrylideneamino)-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-(benzhydrylideneamino)-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-(benzhydrylideneamino)-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(NN=C(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-(benzhydrylideneamino)-4,6-dimethylpyrimidin-2-amine?
The InChIKey is CCBMGCPPZDFKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c1-14-13-15(2)21-19(20-14)23-22-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13H,1-2H3,(H,20,21,23).
What are the key properties of N-(benzhydrylideneamino)-4,6-dimethylpyrimidin-2-amine?
N-(benzhydrylideneamino)-4,6-dimethylpyrimidin-2-amine has a molecular weight of 302.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 4127730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).