4-N-(2-methylphenyl)-2-phenyl-6-N-propylpyrimidine-4,6-diamine

C20H22N4 — CID 112879241

IUPAC4-N-(2-methylphenyl)-2-phenyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2ccccc2C)nc(-c2ccccc2)n1
InChIInChI=1S/C20H22N4/c1-3-13-21-18-14-19(22-17-12-8-7-9-15(17)2)24-20(23-18)16-10-5-4-6-11-16/h4-12,14H,3,13H2,1-2H3,(H2,21,22,23,24)
InChIKeyOSRPRKCNHQOWRI-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.02
Rot. Bonds6

About 4-N-(2-methylphenyl)-2-phenyl-6-N-propylpyrimidine-4,6-diamine

4-N-(2-methylphenyl)-2-phenyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 112879241) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-N-(2-methylphenyl)-2-phenyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methylphenyl)-2-phenyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID112879241
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name4-N-(2-methylphenyl)-2-phenyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(Nc2ccccc2C)nc(-c2ccccc2)n1
InChIInChI=1S/C20H22N4/c1-3-13-21-18-14-19(22-17-12-8-7-9-15(17)2)24-20(23-18)16-10-5-4-6-11-16/h4-12,14H,3,13H2,1-2H3,(H2,21,22,23,24)
InChIKeyOSRPRKCNHQOWRI-UHFFFAOYSA-N
XLogP5.02
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-tert-butyl-6-N-(2-methylphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112881613
4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879234
4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879191
4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80755281
6-ethyl-2-phenyl-N-propylpyrimidin-4-amine
CID 62192699
4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879169
4-N-butan-2-yl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879173
2-[[2-phenyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 115915242
4-N,4-N-diethyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879230
4-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879209
4-N-(4-chloro-2-methylphenyl)-6-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4,6-diamine
CID 112880896
2-phenyl-6-N-propyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112879269

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylphenyl)-2-phenyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methylphenyl)-2-phenyl-6-N-propylpyrimidine-4,6-diamine (CID 112879241) is 4-N-(2-methylphenyl)-2-phenyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methylphenyl)-2-phenyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methylphenyl)-2-phenyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(Nc2ccccc2C)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N-(2-methylphenyl)-2-phenyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is OSRPRKCNHQOWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-3-13-21-18-14-19(22-17-12-8-7-9-15(17)2)24-20(23-18)16-10-5-4-6-11-16/h4-12,14H,3,13H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-N-(2-methylphenyl)-2-phenyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(2-methylphenyl)-2-phenyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 318.42 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylphenyl)-2-phenyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 112879241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).