5-benzyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine

C19H20N4 — CID 12526552

IUPAC5-benzyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine
SMILESCNc1nc(-c2ccccc2)nc(NC)c1Cc1ccccc1
InChIInChI=1S/C19H20N4/c1-20-18-16(13-14-9-5-3-6-10-14)19(21-2)23-17(22-18)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H2,20,21,22,23)
InChIKeyXXUUAOPXZVSEIL-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.82
Rot. Bonds5

About 5-benzyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine

5-benzyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine (PubChem CID 12526552) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 5-benzyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-benzyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine
PubChem CID12526552
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name5-benzyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine
SMILESCNc1nc(-c2ccccc2)nc(NC)c1Cc1ccccc1
InChIInChI=1S/C19H20N4/c1-20-18-16(13-14-9-5-3-6-10-14)19(21-2)23-17(22-18)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H2,20,21,22,23)
InChIKeyXXUUAOPXZVSEIL-UHFFFAOYSA-N
XLogP3.82
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 83870895
5-benzyl-4-methoxy-6-methyl-2-phenylpyrimidine
CID 2223258
5-benzyl-N-(4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine
CID 23605395
2-(4-ethylphenyl)-N-methylquinazolin-4-amine
CID 63500302
5-iodo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 66306895
8-benzyl-2-phenyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine
CID 10363919
benzene;benzylbenzene;1,1'-biphenyl;ethane;naphthalene
CID 160824127
N-methyl-2,6-diphenylpyrimidin-4-amine
CID 4713922
N-methyl-2-(2-phenylethyl)-7H-purin-6-amine
CID 10956074
5-benzyl-4-methyl-6-pentylsulfanyl-2-phenylpyrimidine
CID 27351081
6-benzyl-N-methyl-5-[(E)-prop-1-enyl]pyridin-2-amine
CID 163248612
5-bromo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 66305262

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 5-benzyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine (CID 12526552) is 5-benzyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-benzyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 5-benzyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine is CNc1nc(-c2ccccc2)nc(NC)c1Cc1ccccc1.
What is the InChIKey of 5-benzyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine?
The InChIKey is XXUUAOPXZVSEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-20-18-16(13-14-9-5-3-6-10-14)19(21-2)23-17(22-18)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 5-benzyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine?
5-benzyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine has a molecular weight of 304.40 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 12526552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).