5-methyl-4-N-(2-phenoxyethyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine

C18H19N5O — CID 117093089

IUPAC5-methyl-4-N-(2-phenoxyethyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccncc2)nc1NCCOc1ccccc1
InChIInChI=1S/C18H19N5O/c1-14-13-21-18(22-15-7-9-19-10-8-15)23-17(14)20-11-12-24-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H2,19,20,21,22,23)
InChIKeyGJERWEKPOIIJFT-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.41
Rot. Bonds7

About 5-methyl-4-N-(2-phenoxyethyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine

5-methyl-4-N-(2-phenoxyethyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine (PubChem CID 117093089) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-methyl-4-N-(2-phenoxyethyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(2-phenoxyethyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine
PubChem CID117093089
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name5-methyl-4-N-(2-phenoxyethyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccncc2)nc1NCCOc1ccccc1
InChIInChI=1S/C18H19N5O/c1-14-13-21-18(22-15-7-9-19-10-8-15)23-17(14)20-11-12-24-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H2,19,20,21,22,23)
InChIKeyGJERWEKPOIIJFT-UHFFFAOYSA-N
XLogP3.41
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N,5-dimethyl-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine
CID 80814813
5-methyl-4-N-(2-phenoxyethyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 117087930
4-N-(2-phenoxyethyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine
CID 117079463
5-methyl-2-phenoxy-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 117085027
4-N-benzyl-2-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine
CID 146184524
carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium
CID 157300828
4-N-(2-phenoxyethyl)-2-N-phenylpyrimidine-2,4-diamine
CID 117083720
5-methyl-N-phenyl-4-pyridin-4-ylpyrimidin-2-amine
CID 70484958
5-fluoro-4-N-(2-phenoxyethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80791778
4-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-N-pyrazin-2-ylpyrimidine-2,4-diamine
CID 117089303
3-methyl-N-(3-phenoxypropyl)pyridin-2-amine
CID 62379676
2-hydrazinyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80899340

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(2-phenoxyethyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-4-N-(2-phenoxyethyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine (CID 117093089) is 5-methyl-4-N-(2-phenoxyethyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-4-N-(2-phenoxyethyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-4-N-(2-phenoxyethyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine is Cc1cnc(Nc2ccncc2)nc1NCCOc1ccccc1.
What is the InChIKey of 5-methyl-4-N-(2-phenoxyethyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine?
The InChIKey is GJERWEKPOIIJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-14-13-21-18(22-15-7-9-19-10-8-15)23-17(14)20-11-12-24-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H2,19,20,21,22,23).
What are the key properties of 5-methyl-4-N-(2-phenoxyethyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine?
5-methyl-4-N-(2-phenoxyethyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine has a molecular weight of 321.38 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(2-phenoxyethyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 117093089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).