6-N-(3-methylphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine

C20H22N4 — CID 112879366

IUPAC6-N-(3-methylphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1cccc(Nc2cc(NC(C)C)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C20H22N4/c1-14(2)21-18-13-19(22-17-11-7-8-15(3)12-17)24-20(23-18)16-9-5-4-6-10-16/h4-14H,1-3H3,(H2,21,22,23,24)
InChIKeyKAIMGDDLXXNUDI-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.02
Rot. Bonds5

About 6-N-(3-methylphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine

6-N-(3-methylphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 112879366) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 6-N-(3-methylphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-methylphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID112879366
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name6-N-(3-methylphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1cccc(Nc2cc(NC(C)C)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C20H22N4/c1-14(2)21-18-13-19(22-17-11-7-8-15(3)12-17)24-20(23-18)16-9-5-4-6-10-16/h4-14H,1-3H3,(H2,21,22,23,24)
InChIKeyKAIMGDDLXXNUDI-UHFFFAOYSA-N
XLogP5.02
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

methyl 3-[[2-phenyl-6-(propan-2-ylamino)pyrimidin-4-yl]amino]benzoate
CID 112879396
6-N-(1,3-benzodioxol-5-yl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112879405
2-methyl-4-N-(3-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876864
2-[[2-phenyl-6-(propan-2-ylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112879414
6-N-(2-methoxyphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112879380
N-cyclopropyl-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112851897
3-[[6-(3-cyanoanilino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112881724
1,1'-biphenyl;3-methyl-N-phenylaniline
CID 19838437
N-(2-methoxyethyl)-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112853236
5-N-(3-methylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938979
N-(4-methylphenyl)-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 112851525
4-N-(3-bromophenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932901

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-methylphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-methylphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 112879366) is 6-N-(3-methylphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-methylphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-methylphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine is Cc1cccc(Nc2cc(NC(C)C)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 6-N-(3-methylphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is KAIMGDDLXXNUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-14(2)21-18-13-19(22-17-11-7-8-15(3)12-17)24-20(23-18)16-9-5-4-6-10-16/h4-14H,1-3H3,(H2,21,22,23,24).
What are the key properties of 6-N-(3-methylphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
6-N-(3-methylphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 318.42 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-methylphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 112879366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).