4-N-(2-methoxyethyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine

C19H20N4O2 — CID 112885806

IUPAC4-N-(2-methoxyethyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
SMILESCOCCNc1ccnc(Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C19H20N4O2/c1-24-14-13-20-18-11-12-21-19(23-18)22-15-7-9-17(10-8-15)25-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H2,20,21,22,23)
InChIKeyQKSNKCFQBGBFEA-UHFFFAOYSA-N
MW336.40 g/mol
LogP4.07
Rot. Bonds8

About 4-N-(2-methoxyethyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine

4-N-(2-methoxyethyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112885806) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112885806
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4-N-(2-methoxyethyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
SMILESCOCCNc1ccnc(Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C19H20N4O2/c1-24-14-13-20-18-11-12-21-19(23-18)22-15-7-9-17(10-8-15)25-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H2,20,21,22,23)
InChIKeyQKSNKCFQBGBFEA-UHFFFAOYSA-N
XLogP4.07
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 54.07
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

4-N-(3-methoxypropyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112886137
4-N-[3-(dimethylamino)propyl]-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112887704
4-N-(2-phenoxyethyl)-2-N-phenylpyrimidine-2,4-diamine
CID 117083720
4-N-(2-methylpropyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112883295
2-N-(4-ethoxyphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886110
4-N-[(2-methoxyphenyl)methyl]-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112892223
2-N-(4-phenoxyphenyl)-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882615
4-N-(2-phenoxyethyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine
CID 117079463
2-N-(3-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112885810
2-N-butyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112883119
2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112885809
2-N-[2-(dimethylamino)ethyl]-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112887236

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine (CID 112885806) is 4-N-(2-methoxyethyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine is COCCNc1ccnc(Nc2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 4-N-(2-methoxyethyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is QKSNKCFQBGBFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-24-14-13-20-18-11-12-21-19(23-18)22-15-7-9-17(10-8-15)25-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-(2-methoxyethyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine?
4-N-(2-methoxyethyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 336.40 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112885806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).