methyl 2-(benzylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate

C20H19N3O2 — CID 11771954

IUPACmethyl 2-(benzylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(NCc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H19N3O2/c1-14-17(19(24)25-2)18(16-11-7-4-8-12-16)23-20(22-14)21-13-15-9-5-3-6-10-15/h3-12H,13H2,1-2H3,(H,21,22,23)
InChIKeyYFTNRUFZARUBNL-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.85
Rot. Bonds5

About methyl 2-(benzylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate

methyl 2-(benzylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate (PubChem CID 11771954) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is methyl 2-(benzylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(benzylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
PubChem CID11771954
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Namemethyl 2-(benzylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(NCc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H19N3O2/c1-14-17(19(24)25-2)18(16-11-7-4-8-12-16)23-20(22-14)21-13-15-9-5-3-6-10-15/h3-12H,13H2,1-2H3,(H,21,22,23)
InChIKeyYFTNRUFZARUBNL-UHFFFAOYSA-N
XLogP3.85
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(benzylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate?
The IUPAC name of methyl 2-(benzylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate (CID 11771954) is methyl 2-(benzylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-(benzylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-(benzylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate is COC(=O)c1c(C)nc(NCc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of methyl 2-(benzylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate?
The InChIKey is YFTNRUFZARUBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-17(19(24)25-2)18(16-11-7-4-8-12-16)23-20(22-14)21-13-15-9-5-3-6-10-15/h3-12H,13H2,1-2H3,(H,21,22,23).
What are the key properties of methyl 2-(benzylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate?
methyl 2-(benzylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 11771954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).