4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-4,5,6-triamine

C15H21N5 — CID 22539506

IUPAC4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-4,5,6-triamine
SMILESCCCNc1ncnc(N(C)Cc2ccccc2)c1N
InChIInChI=1S/C15H21N5/c1-3-9-17-14-13(16)15(19-11-18-14)20(2)10-12-7-5-4-6-8-12/h4-8,11H,3,9-10,16H2,1-2H3,(H,17,18,19)
InChIKeyWANBFOKECQBORX-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.52
Rot. Bonds6

About 4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-4,5,6-triamine

4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-4,5,6-triamine (PubChem CID 22539506) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-4,5,6-triamine
PubChem CID22539506
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-4,5,6-triamine
SMILESCCCNc1ncnc(N(C)Cc2ccccc2)c1N
InChIInChI=1S/C15H21N5/c1-3-9-17-14-13(16)15(19-11-18-14)20(2)10-12-7-5-4-6-8-12/h4-8,11H,3,9-10,16H2,1-2H3,(H,17,18,19)
InChIKeyWANBFOKECQBORX-UHFFFAOYSA-N
XLogP2.52
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-benzyl-4-N-methyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 22539520
4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,5,6-triamine
CID 22539666
4-N-benzyl-6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-methylpyrimidine-4,5,6-triamine
CID 22539473
4-N,4-N-dibenzyl-6-N-ethylpyrimidine-4,5,6-triamine
CID 19135166
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-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22539657
4-N-benzyl-6-N-(2-chloro-3-pyridinyl)-4-N-methylpyrimidine-4,5,6-triamine
CID 22539688
6-N-butyl-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19134824
4-N-benzyl-4-N-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22539468
N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22539636
N-benzyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 80917919
4-N-benzyl-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-methylpyrimidine-4,5,6-triamine
CID 22539575

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-4,5,6-triamine (CID 22539506) is 4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-4,5,6-triamine is CCCNc1ncnc(N(C)Cc2ccccc2)c1N.
What is the InChIKey of 4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-4,5,6-triamine?
The InChIKey is WANBFOKECQBORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-3-9-17-14-13(16)15(19-11-18-14)20(2)10-12-7-5-4-6-8-12/h4-8,11H,3,9-10,16H2,1-2H3,(H,17,18,19).
What are the key properties of 4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-4,5,6-triamine?
4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-4,5,6-triamine has a molecular weight of 271.37 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 22539506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).