4-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine

C16H22N4O2 — CID 112886293

IUPAC4-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
SMILESCCOc1ccc(Nc2ccnc(NCCCOC)n2)cc1
InChIInChI=1S/C16H22N4O2/c1-3-22-14-7-5-13(6-8-14)19-15-9-11-18-16(20-15)17-10-4-12-21-2/h5-9,11H,3-4,10,12H2,1-2H3,(H2,17,18,19,20)
InChIKeyINPDYIMWUNCUES-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.07
Rot. Bonds9

About 4-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine

4-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine (PubChem CID 112886293) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
PubChem CID112886293
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name4-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
SMILESCCOc1ccc(Nc2ccnc(NCCCOC)n2)cc1
InChIInChI=1S/C16H22N4O2/c1-3-22-14-7-5-13(6-8-14)19-15-9-11-18-16(20-15)17-10-4-12-21-2/h5-9,11H,3-4,10,12H2,1-2H3,(H2,17,18,19,20)
InChIKeyINPDYIMWUNCUES-UHFFFAOYSA-N
XLogP3.07
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.07
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

2-N-(4-ethoxyphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886110
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112899527
4-N-(3-methoxypropyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112886137
4-N-(2,5-dimethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886297
2-N-butyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112883119
2-N-(4-ethoxyphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935216
4-N-(4-ethoxyphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887526
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112885905
2-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112904932
4-N-(2-bromophenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886323
4-chloro-N-(3-methoxypropyl)pyrimidin-2-amine
CID 154776272
4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine
CID 114131267

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine (CID 112886293) is 4-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine is CCOc1ccc(Nc2ccnc(NCCCOC)n2)cc1.
What is the InChIKey of 4-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine?
The InChIKey is INPDYIMWUNCUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-22-14-7-5-13(6-8-14)19-15-9-11-18-16(20-15)17-10-4-12-21-2/h5-9,11H,3-4,10,12H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine?
4-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine has a molecular weight of 302.38 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112886293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).