diphenylmethanamine;5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid

C31H28N4O2 — CID 70132616

IUPACdiphenylmethanamine;5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid
SMILESCNc1c(C(=O)O)nc(-c2ccccc2)nc1-c1ccccc1.NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15N3O2.C13H13N/c1-19-15-14(12-8-4-2-5-9-12)20-17(21-16(15)18(22)23)13-10-6-3-7-11-13;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h2-11,19H,1H3,(H,22,23);1-10,13H,14H2
InChIKeyFVPOSOCVJMFGBY-UHFFFAOYSA-N
MW488.59 g/mol
LogP6.29
Rot. Bonds6

About diphenylmethanamine;5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid

diphenylmethanamine;5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid (PubChem CID 70132616) has the molecular formula C31H28N4O2 and a molecular weight of 488.59 g/mol. Its IUPAC name is diphenylmethanamine;5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Namediphenylmethanamine;5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid
PubChem CID70132616
Molecular FormulaC31H28N4O2
Molecular Weight488.59 g/mol
Exact Mass488.22
IUPAC Namediphenylmethanamine;5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid
SMILESCNc1c(C(=O)O)nc(-c2ccccc2)nc1-c1ccccc1.NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15N3O2.C13H13N/c1-19-15-14(12-8-4-2-5-9-12)20-17(21-16(15)18(22)23)13-10-6-3-7-11-13;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h2-11,19H,1H3,(H,22,23);1-10,13H,14H2
InChIKeyFVPOSOCVJMFGBY-UHFFFAOYSA-N
XLogP6.29
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 56.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diphenylmethanamine;5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid?
The IUPAC name of diphenylmethanamine;5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid (CID 70132616) is diphenylmethanamine;5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid.
What is the SMILES notation for diphenylmethanamine;5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid?
The canonical SMILES for diphenylmethanamine;5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid is CNc1c(C(=O)O)nc(-c2ccccc2)nc1-c1ccccc1.NC(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylmethanamine;5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid?
The InChIKey is FVPOSOCVJMFGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2.C13H13N/c1-19-15-14(12-8-4-2-5-9-12)20-17(21-16(15)18(22)23)13-10-6-3-7-11-13;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h2-11,19H,1H3,(H,22,23);1-10,13H,14H2.
What are the key properties of diphenylmethanamine;5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid?
diphenylmethanamine;5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid has a molecular weight of 488.59 g/mol, XLogP of 6.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanamine;5-(methylamino)-2,6-diphenylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 70132616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).