2-N,4-N-dibenzylpyrimidine-2,4,6-triamine

C18H19N5 — CID 100996925

IUPAC2-N,4-N-dibenzylpyrimidine-2,4,6-triamine
SMILESNc1cc(NCc2ccccc2)nc(NCc2ccccc2)n1
InChIInChI=1S/C18H19N5/c19-16-11-17(20-12-14-7-3-1-4-8-14)23-18(22-16)21-13-15-9-5-2-6-10-15/h1-11H,12-13H2,(H4,19,20,21,22,23)
InChIKeyDSDHNLQVPUYBHR-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.28
Rot. Bonds6

About 2-N,4-N-dibenzylpyrimidine-2,4,6-triamine

2-N,4-N-dibenzylpyrimidine-2,4,6-triamine (PubChem CID 100996925) has the molecular formula C18H19N5 and a molecular weight of 305.39 g/mol. Its IUPAC name is 2-N,4-N-dibenzylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-dibenzylpyrimidine-2,4,6-triamine
PubChem CID100996925
Molecular FormulaC18H19N5
Molecular Weight305.39 g/mol
Exact Mass305.16
IUPAC Name2-N,4-N-dibenzylpyrimidine-2,4,6-triamine
SMILESNc1cc(NCc2ccccc2)nc(NCc2ccccc2)n1
InChIInChI=1S/C18H19N5/c19-16-11-17(20-12-14-7-3-1-4-8-14)23-18(22-16)21-13-15-9-5-2-6-10-15/h1-11H,12-13H2,(H4,19,20,21,22,23)
InChIKeyDSDHNLQVPUYBHR-UHFFFAOYSA-N
XLogP3.28
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
4-N-benzylpyrimidine-4,6-diamine
CID 3031503
N-benzyl-6-chloro-2-hydrazinylpyrimidin-4-amine
CID 77230922
2-N-benzyl-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915625
2-N-benzylpyrazine-2,6-diamine
CID 70838336
4-N-benzyl-2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112915465
2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589426
4-N-benzyl-6-thiophen-2-ylpyrimidine-2,4-diamine
CID 117079807
4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 5276763
N-benzyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80932956
4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112915511
4-N-benzyl-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112915471

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dibenzylpyrimidine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-dibenzylpyrimidine-2,4,6-triamine (CID 100996925) is 2-N,4-N-dibenzylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-dibenzylpyrimidine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-dibenzylpyrimidine-2,4,6-triamine is Nc1cc(NCc2ccccc2)nc(NCc2ccccc2)n1.
What is the InChIKey of 2-N,4-N-dibenzylpyrimidine-2,4,6-triamine?
The InChIKey is DSDHNLQVPUYBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c19-16-11-17(20-12-14-7-3-1-4-8-14)23-18(22-16)21-13-15-9-5-2-6-10-15/h1-11H,12-13H2,(H4,19,20,21,22,23).
What are the key properties of 2-N,4-N-dibenzylpyrimidine-2,4,6-triamine?
2-N,4-N-dibenzylpyrimidine-2,4,6-triamine has a molecular weight of 305.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibenzylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 100996925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).