N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine

C23H18ClN3 — CID 22660831

IUPACN-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine
SMILESClc1ccccc1C(Nc1ncccn1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18ClN3/c24-21-15-8-7-14-20(21)23(18-10-3-1-4-11-18,19-12-5-2-6-13-19)27-22-25-16-9-17-26-22/h1-17H,(H,25,26,27)
InChIKeyIDJZBAWBBMKGSZ-UHFFFAOYSA-N
MW371.87 g/mol
LogP5.53
Rot. Bonds5

About N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine

N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine (PubChem CID 22660831) has the molecular formula C23H18ClN3 and a molecular weight of 371.87 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine
PubChem CID22660831
Molecular FormulaC23H18ClN3
Molecular Weight371.87 g/mol
Exact Mass371.12
IUPAC NameN-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine
SMILESClc1ccccc1C(Nc1ncccn1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18ClN3/c24-21-15-8-7-14-20(21)23(18-10-3-1-4-11-18,19-12-5-2-6-13-19)27-22-25-16-9-17-26-22/h1-17H,(H,25,26,27)
InChIKeyIDJZBAWBBMKGSZ-UHFFFAOYSA-N
XLogP5.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.87
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine?
The IUPAC name of N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine (CID 22660831) is N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine is Clc1ccccc1C(Nc1ncccn1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine?
The InChIKey is IDJZBAWBBMKGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3/c24-21-15-8-7-14-20(21)23(18-10-3-1-4-11-18,19-12-5-2-6-13-19)27-22-25-16-9-17-26-22/h1-17H,(H,25,26,27).
What are the key properties of N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine?
N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine has a molecular weight of 371.87 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine is sourced from PubChem (CID 22660831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).