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

C27H33N7O2 — CID 71225115

IUPAC5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(5-methyl-2-phenylpyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCCN(CC)CCOc1cc(-c2cnc(N)nc2Nc2cc(C)nn2-c2ccccc2)ccc1OC
InChIInChI=1S/C27H33N7O2/c1-5-33(6-2)14-15-36-24-17-20(12-13-23(24)35-4)22-18-29-27(28)31-26(22)30-25-16-19(3)32-34(25)21-10-8-7-9-11-21/h7-13,16-18H,5-6,14-15H2,1-4H3,(H3,28,29,30,31)
InChIKeyBRLCKGRRGQOYBK-UHFFFAOYSA-N
MW487.61 g/mol
LogP4.69
Rot. Bonds11

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

5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(5-methyl-2-phenylpyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 71225115) has the molecular formula C27H33N7O2 and a molecular weight of 487.61 g/mol. Its IUPAC name is 5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(5-methyl-2-phenylpyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(5-methyl-2-phenylpyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID71225115
Molecular FormulaC27H33N7O2
Molecular Weight487.61 g/mol
Exact Mass487.27
IUPAC Name5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(5-methyl-2-phenylpyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCCN(CC)CCOc1cc(-c2cnc(N)nc2Nc2cc(C)nn2-c2ccccc2)ccc1OC
InChIInChI=1S/C27H33N7O2/c1-5-33(6-2)14-15-36-24-17-20(12-13-23(24)35-4)22-18-29-27(28)31-26(22)30-25-16-19(3)32-34(25)21-10-8-7-9-11-21/h7-13,16-18H,5-6,14-15H2,1-4H3,(H3,28,29,30,31)
InChIKeyBRLCKGRRGQOYBK-UHFFFAOYSA-N
XLogP4.69
TPSA103.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(2-ethylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 71225109
2-[2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]benzimidazol-1-yl]acetic acid
CID 20989989
4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-5-amine
CID 767167
6-[4-[2-(diethylamino)ethoxy]phenyl]-4-N-(2-methoxyphenyl)-5-phenylpyrimidine-2,4-diamine
CID 68592866
6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenyl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 71529562
1-[2-[4-methoxy-3-(2-phenylmethoxyethoxy)phenyl]phenyl]-3-methyl-5-phenylpyrazole
CID 175310022
N,N-diethyl-2-[(5-methyl-1-phenyl-1,2,4-triazol-3-yl)oxy]ethanamine
CID 24951659
5-(3,4-dimethoxyphenyl)-4-N-(5-methoxy-1H-indazol-3-yl)pyrimidine-2,4-diamine
CID 67420251
2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxylic acid
CID 20986632
ethyl 2-[2-methoxyethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetate
CID 47082260
(5-methyl-2-phenylpyrazol-3-yl)hydrazine
CID 55279869
2-[[1-(3,4-dimethoxyphenyl)-5-ethyl-8-methoxy-4-methyl-5H-2,3-benzodiazepin-7-yl]oxy]-N,N-diethylethanamine
CID 15587280

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(5-methyl-2-phenylpyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(5-methyl-2-phenylpyrazol-3-yl)pyrimidine-2,4-diamine (CID 71225115) is 5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(5-methyl-2-phenylpyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(5-methyl-2-phenylpyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(5-methyl-2-phenylpyrazol-3-yl)pyrimidine-2,4-diamine is CCN(CC)CCOc1cc(-c2cnc(N)nc2Nc2cc(C)nn2-c2ccccc2)ccc1OC.
What is the InChIKey of 5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(5-methyl-2-phenylpyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is BRLCKGRRGQOYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O2/c1-5-33(6-2)14-15-36-24-17-20(12-13-23(24)35-4)22-18-29-27(28)31-26(22)30-25-16-19(3)32-34(25)21-10-8-7-9-11-21/h7-13,16-18H,5-6,14-15H2,1-4H3,(H3,28,29,30,31).
What are the key properties of 5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(5-methyl-2-phenylpyrazol-3-yl)pyrimidine-2,4-diamine?
5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(5-methyl-2-phenylpyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 487.61 g/mol, XLogP of 4.69, 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-(5-methyl-2-phenylpyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 71225115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).