2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-phenylpyrimidine-2,4-diamine

C19H20N4O2 — CID 112899527

IUPAC2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-phenylpyrimidine-2,4-diamine
SMILESCOc1ccc(OCCNc2nccc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C19H20N4O2/c1-24-16-7-9-17(10-8-16)25-14-13-21-19-20-12-11-18(23-19)22-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H2,20,21,22,23)
InChIKeyHMKDWSXAFYVLQD-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.72
Rot. Bonds8

About 2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-phenylpyrimidine-2,4-diamine

2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 112899527) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-phenylpyrimidine-2,4-diamine
PubChem CID112899527
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-phenylpyrimidine-2,4-diamine
SMILESCOc1ccc(OCCNc2nccc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C19H20N4O2/c1-24-16-7-9-17(10-8-16)25-14-13-21-19-20-12-11-18(23-19)22-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H2,20,21,22,23)
InChIKeyHMKDWSXAFYVLQD-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
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

3-N-[2-(4-methoxyphenoxy)ethyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112958741
4-N-(2-phenoxyethyl)-2-N-phenylpyrimidine-2,4-diamine
CID 117083720
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112885905
4-N-(2,3-dimethylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112899539
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892411
4-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886293
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112899521
4-N-[2-(4-methoxyphenoxy)ethyl]-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892289
4-N-(2-phenoxyethyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine
CID 117079463
4-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895526
4-N-(4-methoxyphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895302
2-N-butyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112883119

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-phenylpyrimidine-2,4-diamine (CID 112899527) is 2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-phenylpyrimidine-2,4-diamine is COc1ccc(OCCNc2nccc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is HMKDWSXAFYVLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-24-16-7-9-17(10-8-16)25-14-13-21-19-20-12-11-18(23-19)22-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H2,20,21,22,23).
What are the key properties of 2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-phenylpyrimidine-2,4-diamine?
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 336.40 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112899527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).