5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(2-ethylpyrazol-3-yl)pyrimidine-2,4-diamine

C22H31N7O2 — CID 71225109

IUPAC5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(2-ethylpyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCCN(CC)CCOc1cc(-c2cnc(N)nc2Nc2ccnn2CC)ccc1OC
InChIInChI=1S/C22H31N7O2/c1-5-28(6-2)12-13-31-19-14-16(8-9-18(19)30-4)17-15-24-22(23)27-21(17)26-20-10-11-25-29(20)7-3/h8-11,14-15H,5-7,12-13H2,1-4H3,(H3,23,24,26,27)
InChIKeyLYSXKMMOIGGFJB-UHFFFAOYSA-N
MW425.54 g/mol
LogP3.41
Rot. Bonds11

About 5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(2-ethylpyrazol-3-yl)pyrimidine-2,4-diamine

5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(2-ethylpyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 71225109) has the molecular formula C22H31N7O2 and a molecular weight of 425.54 g/mol. Its IUPAC name is 5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(2-ethylpyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(2-ethylpyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID71225109
Molecular FormulaC22H31N7O2
Molecular Weight425.54 g/mol
Exact Mass425.25
IUPAC Name5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(2-ethylpyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCCN(CC)CCOc1cc(-c2cnc(N)nc2Nc2ccnn2CC)ccc1OC
InChIInChI=1S/C22H31N7O2/c1-5-28(6-2)12-13-31-19-14-16(8-9-18(19)30-4)17-15-24-22(23)27-21(17)26-20-10-11-25-29(20)7-3/h8-11,14-15H,5-7,12-13H2,1-4H3,(H3,23,24,26,27)
InChIKeyLYSXKMMOIGGFJB-UHFFFAOYSA-N
XLogP3.41
TPSA103.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(5-methyl-2-phenylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 71225115
5-(3,4-dimethoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine
CID 67420251
2-[2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]benzimidazol-1-yl]acetic acid
CID 20989989
6-[4-[2-(diethylamino)ethoxy]phenyl]-4-N-(2-methoxyphenyl)-5-phenylpyrimidine-2,4-diamine
CID 68592866
2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxylic acid
CID 20986632
8-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1,3-dimethyl-7H-purine-2,6-dione
CID 42631506
2-[[1-(3,4-dimethoxyphenyl)-5-ethyl-8-methoxy-4-methyl-5H-2,3-benzodiazepin-7-yl]oxy]-N,N-diethylethanamine
CID 15587280
6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenyl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 71529562
2-[2-(diethylamino)ethoxy]-5-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzaldehyde
CID 89128915
6-[2-(diethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine
CID 80871216
N-ethyl-N-[[5-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenyl]methyl]ethanamine
CID 19625042
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-phenylbenzamide
CID 56988348

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(2-ethylpyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(2-ethylpyrazol-3-yl)pyrimidine-2,4-diamine (CID 71225109) is 5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(2-ethylpyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(2-ethylpyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(2-ethylpyrazol-3-yl)pyrimidine-2,4-diamine is CCN(CC)CCOc1cc(-c2cnc(N)nc2Nc2ccnn2CC)ccc1OC.
What is the InChIKey of 5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(2-ethylpyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is LYSXKMMOIGGFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O2/c1-5-28(6-2)12-13-31-19-14-16(8-9-18(19)30-4)17-15-24-22(23)27-21(17)26-20-10-11-25-29(20)7-3/h8-11,14-15H,5-7,12-13H2,1-4H3,(H3,23,24,26,27).
What are the key properties of 5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(2-ethylpyrazol-3-yl)pyrimidine-2,4-diamine?
5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(2-ethylpyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 425.54 g/mol, XLogP of 3.41, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(2-ethylpyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 71225109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).