4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine

C15H21N5 — CID 80754280

IUPAC4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(N(C)Cc2ccccc2)nc(N)n1
InChIInChI=1S/C15H21N5/c1-3-9-17-13-10-14(19-15(16)18-13)20(2)11-12-7-5-4-6-8-12/h4-8,10H,3,9,11H2,1-2H3,(H3,16,17,18,19)
InChIKeyVZIBAXXOKXNONZ-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.52
Rot. Bonds6

About 4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine

4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80754280) 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-2,4,6-triamine.

Molecular Properties

Compound Name4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
PubChem CID80754280
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(N(C)Cc2ccccc2)nc(N)n1
InChIInChI=1S/C15H21N5/c1-3-9-17-13-10-14(19-15(16)18-13)20(2)11-12-7-5-4-6-8-12/h4-8,10H,3,9,11H2,1-2H3,(H3,16,17,18,19)
InChIKeyVZIBAXXOKXNONZ-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-[(2-bromophenyl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80778356
4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80799386
4-N-methyl-6-N-propyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4,6-triamine
CID 80773723
4-N-benzyl-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
CID 80757098
6-N-ethyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4,6-triamine
CID 80794370
4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80776337
6-hydrazinyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80899123
4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112880706
6-N-ethyl-4-N-(furan-3-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine
CID 80795367
4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80815573
4-N,6-N-dimethyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
CID 80847357
4-N-benzyl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80949319

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine (CID 80754280) is 4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(N(C)Cc2ccccc2)nc(N)n1.
What is the InChIKey of 4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is VZIBAXXOKXNONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-3-9-17-13-10-14(19-15(16)18-13)20(2)11-12-7-5-4-6-8-12/h4-8,10H,3,9,11H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine?
4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-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-2,4,6-triamine is sourced from PubChem (CID 80754280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).