4-N-benzyl-4-N-methyl-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine

C18H20N6 — CID 22539657

IUPAC4-N-benzyl-4-N-methyl-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(Nc2ncnc(N(C)Cc3ccccc3)c2N)nc1
InChIInChI=1S/C18H20N6/c1-13-8-9-15(20-10-13)23-17-16(19)18(22-12-21-17)24(2)11-14-6-4-3-5-7-14/h3-10,12H,11,19H2,1-2H3,(H,20,21,22,23)
InChIKeySQSSEHQVHGRZSV-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.14
Rot. Bonds5

About 4-N-benzyl-4-N-methyl-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine

4-N-benzyl-4-N-methyl-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine (PubChem CID 22539657) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-N-benzyl-4-N-methyl-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-benzyl-4-N-methyl-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
PubChem CID22539657
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name4-N-benzyl-4-N-methyl-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(Nc2ncnc(N(C)Cc3ccccc3)c2N)nc1
InChIInChI=1S/C18H20N6/c1-13-8-9-15(20-10-13)23-17-16(19)18(22-12-21-17)24(2)11-14-6-4-3-5-7-14/h3-10,12H,11,19H2,1-2H3,(H,20,21,22,23)
InChIKeySQSSEHQVHGRZSV-UHFFFAOYSA-N
XLogP3.14
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-benzyl-4-N-methyl-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine with MolForge

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Related Compounds

4-N-benzyl-6-N-(2,5-dimethylphenyl)-4-N-methylpyrimidine-4,5,6-triamine
CID 22539498
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
6-(2,2-diphenylhydrazinyl)-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19146654
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
4-N,4-N-bis(2-methoxyethyl)-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19141684
4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19137200
4-N,4-N-dibenzyl-6-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22545111
4-N-benzyl-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-methylpyrimidine-4,5,6-triamine
CID 22539575
N-benzyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 80917919
4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,5,6-triamine
CID 22539666

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-methyl-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-benzyl-4-N-methyl-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine (CID 22539657) is 4-N-benzyl-4-N-methyl-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-benzyl-4-N-methyl-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-benzyl-4-N-methyl-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine is Cc1ccc(Nc2ncnc(N(C)Cc3ccccc3)c2N)nc1.
What is the InChIKey of 4-N-benzyl-4-N-methyl-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The InChIKey is SQSSEHQVHGRZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-13-8-9-15(20-10-13)23-17-16(19)18(22-12-21-17)24(2)11-14-6-4-3-5-7-14/h3-10,12H,11,19H2,1-2H3,(H,20,21,22,23).
What are the key properties of 4-N-benzyl-4-N-methyl-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
4-N-benzyl-4-N-methyl-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine has a molecular weight of 320.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N-methyl-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22539657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).