4-N-benzyl-6-N-(2,5-dimethylphenyl)-4-N-methylpyrimidine-4,5,6-triamine

C20H23N5 — CID 22539498

IUPAC4-N-benzyl-6-N-(2,5-dimethylphenyl)-4-N-methylpyrimidine-4,5,6-triamine
SMILESCc1ccc(C)c(Nc2ncnc(N(C)Cc3ccccc3)c2N)c1
InChIInChI=1S/C20H23N5/c1-14-9-10-15(2)17(11-14)24-19-18(21)20(23-13-22-19)25(3)12-16-7-5-4-6-8-16/h4-11,13H,12,21H2,1-3H3,(H,22,23,24)
InChIKeyRDUISXIQEBKKFU-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.06
Rot. Bonds5

About 4-N-benzyl-6-N-(2,5-dimethylphenyl)-4-N-methylpyrimidine-4,5,6-triamine

4-N-benzyl-6-N-(2,5-dimethylphenyl)-4-N-methylpyrimidine-4,5,6-triamine (PubChem CID 22539498) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-N-benzyl-6-N-(2,5-dimethylphenyl)-4-N-methylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-benzyl-6-N-(2,5-dimethylphenyl)-4-N-methylpyrimidine-4,5,6-triamine
PubChem CID22539498
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name4-N-benzyl-6-N-(2,5-dimethylphenyl)-4-N-methylpyrimidine-4,5,6-triamine
SMILESCc1ccc(C)c(Nc2ncnc(N(C)Cc3ccccc3)c2N)c1
InChIInChI=1S/C20H23N5/c1-14-9-10-15(2)17(11-14)24-19-18(21)20(23-13-22-19)25(3)12-16-7-5-4-6-8-16/h4-11,13H,12,21H2,1-3H3,(H,22,23,24)
InChIKeyRDUISXIQEBKKFU-UHFFFAOYSA-N
XLogP4.06
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-benzyl-6-N-(2,5-dimethylphenyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine
CID 23477921
4-N-benzyl-4-N-methyl-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22539657
4-N-benzyl-4-N-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22539468
4-N-benzyl-6-N-(2-chloro-3-pyridinyl)-4-N-methylpyrimidine-4,5,6-triamine
CID 22539688
4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-4,5,6-triamine
CID 22539506
4-N-benzyl-4-N-methyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 22539520
6-N-(2,4-dimethylphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547014
6-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547049
4-N-benzyl-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-methylpyrimidine-4,5,6-triamine
CID 22539575
4-N-(2,5-dimethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22547055
2-[4-[[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]amino]-2-chloro-5-methylphenyl]-2-(4-chlorophenyl)acetonitrile
CID 22539486
4-N,4-N-dibenzyl-6-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22545111

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-N-(2,5-dimethylphenyl)-4-N-methylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-benzyl-6-N-(2,5-dimethylphenyl)-4-N-methylpyrimidine-4,5,6-triamine (CID 22539498) is 4-N-benzyl-6-N-(2,5-dimethylphenyl)-4-N-methylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-benzyl-6-N-(2,5-dimethylphenyl)-4-N-methylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-benzyl-6-N-(2,5-dimethylphenyl)-4-N-methylpyrimidine-4,5,6-triamine is Cc1ccc(C)c(Nc2ncnc(N(C)Cc3ccccc3)c2N)c1.
What is the InChIKey of 4-N-benzyl-6-N-(2,5-dimethylphenyl)-4-N-methylpyrimidine-4,5,6-triamine?
The InChIKey is RDUISXIQEBKKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-14-9-10-15(2)17(11-14)24-19-18(21)20(23-13-22-19)25(3)12-16-7-5-4-6-8-16/h4-11,13H,12,21H2,1-3H3,(H,22,23,24).
What are the key properties of 4-N-benzyl-6-N-(2,5-dimethylphenyl)-4-N-methylpyrimidine-4,5,6-triamine?
4-N-benzyl-6-N-(2,5-dimethylphenyl)-4-N-methylpyrimidine-4,5,6-triamine has a molecular weight of 333.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-N-(2,5-dimethylphenyl)-4-N-methylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 22539498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).