8-ethoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine

C26H25N7O2 — CID 66502797

IUPAC8-ethoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine
SMILESCCOc1cccc2c(C)nc(Nc3nccc(-c4cn(-c5ccc(OC)cc5)nc4C)n3)nc12
InChIInChI=1S/C26H25N7O2/c1-5-35-23-8-6-7-20-16(2)28-26(30-24(20)23)31-25-27-14-13-22(29-25)21-15-33(32-17(21)3)18-9-11-19(34-4)12-10-18/h6-15H,5H2,1-4H3,(H,27,28,29,30,31)
InChIKeyJKXMDYHEAFLEHU-UHFFFAOYSA-N
MW467.53 g/mol
LogP5.04
Rot. Bonds7

About 8-ethoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine

8-ethoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine (PubChem CID 66502797) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is 8-ethoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine.

Molecular Properties

Compound Name8-ethoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine
PubChem CID66502797
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC Name8-ethoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine
SMILESCCOc1cccc2c(C)nc(Nc3nccc(-c4cn(-c5ccc(OC)cc5)nc4C)n3)nc12
InChIInChI=1S/C26H25N7O2/c1-5-35-23-8-6-7-20-16(2)28-26(30-24(20)23)31-25-27-14-13-22(29-25)21-15-33(32-17(21)3)18-9-11-19(34-4)12-10-18/h6-15H,5H2,1-4H3,(H,27,28,29,30,31)
InChIKeyJKXMDYHEAFLEHU-UHFFFAOYSA-N
XLogP5.04
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.53
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

8-methoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine
CID 66502796
6-ethoxy-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine
CID 66502817
N-(2-methoxyphenyl)-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine
CID 66503071
6-ethyl-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine
CID 66502816
methyl 2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4,6-dimethylpyrimidine-5-carboxylate
CID 17228548
4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyphenyl)pyrimidin-2-amine
CID 66503231
1-[2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone
CID 16584499
N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-4-methylquinazolin-2-amine
CID 66503004
4-(1-benzyl-3-methylpyrazol-4-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 10292620
4-[2-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]ethyl]morpholine
CID 66502827
2-[6-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanethiol
CID 17228638
N-(2,4-dichlorophenyl)-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine
CID 66502909

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine?
The IUPAC name of 8-ethoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine (CID 66502797) is 8-ethoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine.
What is the SMILES notation for 8-ethoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine?
The canonical SMILES for 8-ethoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine is CCOc1cccc2c(C)nc(Nc3nccc(-c4cn(-c5ccc(OC)cc5)nc4C)n3)nc12.
What is the InChIKey of 8-ethoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine?
The InChIKey is JKXMDYHEAFLEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2/c1-5-35-23-8-6-7-20-16(2)28-26(30-24(20)23)31-25-27-14-13-22(29-25)21-15-33(32-17(21)3)18-9-11-19(34-4)12-10-18/h6-15H,5H2,1-4H3,(H,27,28,29,30,31).
What are the key properties of 8-ethoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine?
8-ethoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine has a molecular weight of 467.53 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine is sourced from PubChem (CID 66502797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).