6-ethyl-5-[3-(4-phenylphenoxy)propoxy]pyrimidine-2,4-diamine

C21H24N4O2 — CID 177378760

IUPAC6-ethyl-5-[3-(4-phenylphenoxy)propoxy]pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1OCCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H24N4O2/c1-2-18-19(20(22)25-21(23)24-18)27-14-6-13-26-17-11-9-16(10-12-17)15-7-4-3-5-8-15/h3-5,7-12H,2,6,13-14H2,1H3,(H4,22,23,24,25)
InChIKeyBRMZTVKOQXSVAI-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.72
Rot. Bonds8

About 6-ethyl-5-[3-(4-phenylphenoxy)propoxy]pyrimidine-2,4-diamine

6-ethyl-5-[3-(4-phenylphenoxy)propoxy]pyrimidine-2,4-diamine (PubChem CID 177378760) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-ethyl-5-[3-(4-phenylphenoxy)propoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-5-[3-(4-phenylphenoxy)propoxy]pyrimidine-2,4-diamine
PubChem CID177378760
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name6-ethyl-5-[3-(4-phenylphenoxy)propoxy]pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1OCCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H24N4O2/c1-2-18-19(20(22)25-21(23)24-18)27-14-6-13-26-17-11-9-16(10-12-17)15-7-4-3-5-8-15/h3-5,7-12H,2,6,13-14H2,1H3,(H4,22,23,24,25)
InChIKeyBRMZTVKOQXSVAI-UHFFFAOYSA-N
XLogP3.72
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
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

5-[3-[4-(4-chlorophenyl)phenoxy]propoxy]-6-ethylpyrimidine-2,4-diamine
CID 12803793
ethyl 4-[4-[3-(2,4-diamino-6-ethylpyrimidin-5-yl)oxypropoxy]phenyl]benzoate
CID 177378762
3-[2-[3-(2,4-diamino-6-ethylpyrimidin-5-yl)oxypropoxy]phenyl]propanoic acid;hydrochloride
CID 68574770
6-methyl-5-(4-phenoxybutoxy)pyrimidine-2,4-diamine;hydrate;hydrochloride
CID 44522577
(2S)-2-[[3-[3-(2,4-diamino-6-ethylpyrimidin-5-yl)oxypropoxy]phenyl]methyl]-3,3-difluoropropanoic acid
CID 155928413
6-(5-phenoxypentyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride
CID 155532752
1-pentoxy-4-phenylbenzene
CID 7021155
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
4-ethylquinazolin-2-amine
CID 10352174
4-[5-(4-phenylphenoxy)pentoxy]aniline
CID 24833731
4-[7-(4-methylphenoxy)heptyl]quinazolin-2-amine
CID 154005030
3-[2-[3-(2,4-diamino-6-ethylpyrimidin-5-yl)oxypropoxy]phenyl]-N-propan-2-ylsulfonylpropanamide
CID 162540400

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-[3-(4-phenylphenoxy)propoxy]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-5-[3-(4-phenylphenoxy)propoxy]pyrimidine-2,4-diamine (CID 177378760) is 6-ethyl-5-[3-(4-phenylphenoxy)propoxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-5-[3-(4-phenylphenoxy)propoxy]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-5-[3-(4-phenylphenoxy)propoxy]pyrimidine-2,4-diamine is CCc1nc(N)nc(N)c1OCCCOc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 6-ethyl-5-[3-(4-phenylphenoxy)propoxy]pyrimidine-2,4-diamine?
The InChIKey is BRMZTVKOQXSVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-2-18-19(20(22)25-21(23)24-18)27-14-6-13-26-17-11-9-16(10-12-17)15-7-4-3-5-8-15/h3-5,7-12H,2,6,13-14H2,1H3,(H4,22,23,24,25).
What are the key properties of 6-ethyl-5-[3-(4-phenylphenoxy)propoxy]pyrimidine-2,4-diamine?
6-ethyl-5-[3-(4-phenylphenoxy)propoxy]pyrimidine-2,4-diamine has a molecular weight of 364.45 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 6-ethyl-5-[3-(4-phenylphenoxy)propoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 177378760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).