6-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine

C13H17N5 — CID 80777642

IUPAC6-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
SMILESCNc1cc(NCCc2ccccc2)nc(N)n1
InChIInChI=1S/C13H17N5/c1-15-11-9-12(18-13(14)17-11)16-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H4,14,15,16,17,18)
InChIKeyOGUDQNVLRVDZAE-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.76
Rot. Bonds5

About 6-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine

6-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine (PubChem CID 80777642) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
PubChem CID80777642
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name6-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
SMILESCNc1cc(NCCc2ccccc2)nc(N)n1
InChIInChI=1S/C13H17N5/c1-15-11-9-12(18-13(14)17-11)16-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H4,14,15,16,17,18)
InChIKeyOGUDQNVLRVDZAE-UHFFFAOYSA-N
XLogP1.76
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4,6-triamine
CID 80791770
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
4-N-[2-(4-aminophenyl)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 144972199
6-N-methyl-2-N-(2-phenylethyl)pyrazine-2,6-diamine
CID 80778395
4-N,6-N-dimethyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
CID 80847357
4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80784820
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
6-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 78989212
6-hydrazinyl-N-(2-phenylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80968187
4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80836329
1-[3-[2-amino-6-(2-phenylethylamino)pyrimidin-4-yl]thiophen-2-yl]ethanone
CID 118559411
4-N-benzyl-6-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112871519

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine (CID 80777642) is 6-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine is CNc1cc(NCCc2ccccc2)nc(N)n1.
What is the InChIKey of 6-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine?
The InChIKey is OGUDQNVLRVDZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-15-11-9-12(18-13(14)17-11)16-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H4,14,15,16,17,18).
What are the key properties of 6-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine?
6-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine has a molecular weight of 243.31 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80777642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).