5-methyl-2-phenoxy-N-(2-phenoxyethyl)pyrimidin-4-amine

C19H19N3O2 — CID 117085027

IUPAC5-methyl-2-phenoxy-N-(2-phenoxyethyl)pyrimidin-4-amine
SMILESCc1cnc(Oc2ccccc2)nc1NCCOc1ccccc1
InChIInChI=1S/C19H19N3O2/c1-15-14-21-19(24-17-10-6-3-7-11-17)22-18(15)20-12-13-23-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3,(H,20,21,22)
InChIKeyDYEFAFMUZSZWDU-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.07
Rot. Bonds7

About 5-methyl-2-phenoxy-N-(2-phenoxyethyl)pyrimidin-4-amine

5-methyl-2-phenoxy-N-(2-phenoxyethyl)pyrimidin-4-amine (PubChem CID 117085027) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-methyl-2-phenoxy-N-(2-phenoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-phenoxy-N-(2-phenoxyethyl)pyrimidin-4-amine
PubChem CID117085027
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name5-methyl-2-phenoxy-N-(2-phenoxyethyl)pyrimidin-4-amine
SMILESCc1cnc(Oc2ccccc2)nc1NCCOc1ccccc1
InChIInChI=1S/C19H19N3O2/c1-15-14-21-19(24-17-10-6-3-7-11-17)22-18(15)20-12-13-23-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3,(H,20,21,22)
InChIKeyDYEFAFMUZSZWDU-UHFFFAOYSA-N
XLogP4.07
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-4-ylpyrimidine-2,4-diamine
CID 117093089
5-methyl-4-N-(2-phenoxyethyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 117087930
6-hydrazinyl-2,5-dimethyl-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 80900531
3-methyl-N-(3-phenoxypropyl)pyridin-2-amine
CID 62379676
3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine
CID 105366850
6-chloro-2-ethyl-5-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 79238156
5,6-dimethyl-3-(2-phenoxyethylamino)pyridazine-4-carbonitrile
CID 34013796
5-methyl-4-N-(2-phenoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983631
6-chloro-4,5-dimethyl-N-(2-phenoxyethyl)pyridazin-3-amine
CID 63271688
3-methyl-N-(2-phenoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267869
6-methyl-2-N-(3-phenoxypropyl)pyridine-2,3-diamine
CID 81131859

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenoxy-N-(2-phenoxyethyl)pyrimidin-4-amine?
The IUPAC name of 5-methyl-2-phenoxy-N-(2-phenoxyethyl)pyrimidin-4-amine (CID 117085027) is 5-methyl-2-phenoxy-N-(2-phenoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-phenoxy-N-(2-phenoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-phenoxy-N-(2-phenoxyethyl)pyrimidin-4-amine is Cc1cnc(Oc2ccccc2)nc1NCCOc1ccccc1.
What is the InChIKey of 5-methyl-2-phenoxy-N-(2-phenoxyethyl)pyrimidin-4-amine?
The InChIKey is DYEFAFMUZSZWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-15-14-21-19(24-17-10-6-3-7-11-17)22-18(15)20-12-13-23-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3,(H,20,21,22).
What are the key properties of 5-methyl-2-phenoxy-N-(2-phenoxyethyl)pyrimidin-4-amine?
5-methyl-2-phenoxy-N-(2-phenoxyethyl)pyrimidin-4-amine has a molecular weight of 321.38 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenoxy-N-(2-phenoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 117085027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).