4-N-(2-phenoxyethyl)-2-N-phenylpyrimidine-2,4-diamine

C18H18N4O — CID 117083720

IUPAC4-N-(2-phenoxyethyl)-2-N-phenylpyrimidine-2,4-diamine
SMILESc1ccc(Nc2nccc(NCCOc3ccccc3)n2)cc1
InChIInChI=1S/C18H18N4O/c1-3-7-15(8-4-1)21-18-20-12-11-17(22-18)19-13-14-23-16-9-5-2-6-10-16/h1-12H,13-14H2,(H2,19,20,21,22)
InChIKeyDJTGBLWSYKVCAJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.71
Rot. Bonds7

About 4-N-(2-phenoxyethyl)-2-N-phenylpyrimidine-2,4-diamine

4-N-(2-phenoxyethyl)-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 117083720) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-N-(2-phenoxyethyl)-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-phenoxyethyl)-2-N-phenylpyrimidine-2,4-diamine
PubChem CID117083720
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name4-N-(2-phenoxyethyl)-2-N-phenylpyrimidine-2,4-diamine
SMILESc1ccc(Nc2nccc(NCCOc3ccccc3)n2)cc1
InChIInChI=1S/C18H18N4O/c1-3-7-15(8-4-1)21-18-20-12-11-17(22-18)19-13-14-23-16-9-5-2-6-10-16/h1-12H,13-14H2,(H2,19,20,21,22)
InChIKeyDJTGBLWSYKVCAJ-UHFFFAOYSA-N
XLogP3.71
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-phenoxyethyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine
CID 117079463
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112899527
4-N-(2-methoxyethyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112885806
2-N-methyl-4-N-(3-phenoxypropyl)pyrimidine-2,4-diamine
CID 80827502
4-N-(3-methoxypropyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112886137
2-N-(3-methoxyphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886107
2-N-(4-ethoxyphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886110
4-N-[3-(dimethylamino)propyl]-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112887704
4-hydrazinyl-N-phenylpyrimidin-2-amine
CID 94672732
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112885905
2-N-(3-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112885810
4-N-[(4-methylphenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112890302

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-phenoxyethyl)-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-phenoxyethyl)-2-N-phenylpyrimidine-2,4-diamine (CID 117083720) is 4-N-(2-phenoxyethyl)-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-phenoxyethyl)-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-phenoxyethyl)-2-N-phenylpyrimidine-2,4-diamine is c1ccc(Nc2nccc(NCCOc3ccccc3)n2)cc1.
What is the InChIKey of 4-N-(2-phenoxyethyl)-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is DJTGBLWSYKVCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-3-7-15(8-4-1)21-18-20-12-11-17(22-18)19-13-14-23-16-9-5-2-6-10-16/h1-12H,13-14H2,(H2,19,20,21,22).
What are the key properties of 4-N-(2-phenoxyethyl)-2-N-phenylpyrimidine-2,4-diamine?
4-N-(2-phenoxyethyl)-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 306.37 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-phenoxyethyl)-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 117083720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).