N-[2-(2-methoxyphenyl)ethyl]-6-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-amine

C22H24N6O — CID 73214354

IUPACN-[2-(2-methoxyphenyl)ethyl]-6-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-amine
SMILESCOc1ccccc1CCNc1cc(-c2cnc3c(cnn3C(C)C)c2)ncn1
InChIInChI=1S/C22H24N6O/c1-15(2)28-22-18(13-27-28)10-17(12-24-22)19-11-21(26-14-25-19)23-9-8-16-6-4-5-7-20(16)29-3/h4-7,10-15H,8-9H2,1-3H3,(H,23,25,26)
InChIKeyBUZSUMKBUBLSTI-UHFFFAOYSA-N
MW388.48 g/mol
LogP4.13
Rot. Bonds7

About N-[2-(2-methoxyphenyl)ethyl]-6-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-amine

N-[2-(2-methoxyphenyl)ethyl]-6-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-amine (PubChem CID 73214354) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-6-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-6-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-amine
PubChem CID73214354
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-6-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-amine
SMILESCOc1ccccc1CCNc1cc(-c2cnc3c(cnn3C(C)C)c2)ncn1
InChIInChI=1S/C22H24N6O/c1-15(2)28-22-18(13-27-28)10-17(12-24-22)19-11-21(26-14-25-19)23-9-8-16-6-4-5-7-20(16)29-3/h4-7,10-15H,8-9H2,1-3H3,(H,23,25,26)
InChIKeyBUZSUMKBUBLSTI-UHFFFAOYSA-N
XLogP4.13
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)pyrimidin-4-amine
CID 73214502
N-[2-(2-methoxyphenyl)ethyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine
CID 123763987
N-[2-(2-methoxyphenyl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine
CID 123915678
6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112855105
N-(2-cyanoethyl)-5-[6-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]pyridine-2-carboxamide
CID 130428690
N-butan-2-yl-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109340798
N-[2-(2-methoxyphenyl)ethyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30446403
4-N-(3,5-dimethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861517
N-[2-(2-ethoxyphenyl)ethyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine
CID 130428592
N-[2-(2-methoxyphenyl)ethyl]-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine
CID 123137691
N-(3-benzyl-4-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24586217
4-N-(3-chlorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861528

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-6-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-6-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-amine (CID 73214354) is N-[2-(2-methoxyphenyl)ethyl]-6-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-6-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-6-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-amine is COc1ccccc1CCNc1cc(-c2cnc3c(cnn3C(C)C)c2)ncn1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-6-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-amine?
The InChIKey is BUZSUMKBUBLSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-15(2)28-22-18(13-27-28)10-17(12-24-22)19-11-21(26-14-25-19)23-9-8-16-6-4-5-7-20(16)29-3/h4-7,10-15H,8-9H2,1-3H3,(H,23,25,26).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-6-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-amine?
N-[2-(2-methoxyphenyl)ethyl]-6-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-amine has a molecular weight of 388.48 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-6-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 73214354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).