N-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C14H15N5O — CID 3139598

IUPACN-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1ccc(Nc2ncnc3c2cnn3C)cc1
InChIInChI=1S/C14H15N5O/c1-3-20-11-6-4-10(5-7-11)18-13-12-8-17-19(2)14(12)16-9-15-13/h4-9H,3H2,1-2H3,(H,15,16,18)
InChIKeyRNJFSQBZCIAUHD-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.51
Rot. Bonds4

About N-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 3139598) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID3139598
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1ccc(Nc2ncnc3c2cnn3C)cc1
InChIInChI=1S/C14H15N5O/c1-3-20-11-6-4-10(5-7-11)18-13-12-8-17-19(2)14(12)16-9-15-13/h4-9H,3H2,1-2H3,(H,15,16,18)
InChIKeyRNJFSQBZCIAUHD-UHFFFAOYSA-N
XLogP2.51
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-chloro-phenylamino)-3-(4-methoxy-phenylamino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327828
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
N-(3-methoxyphenyl)-1-methyl-6-morpholino-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456450
N-(3-methoxyphenyl)-1-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456451
N~7~-(4-Ethoxyphenyl)-6-Methyl-N~5~-[(3s)-Piperidin-3-Yl]pyrazolo[1,5-A]pyrimidine-5,7-Diamine
CID 49867482
(S)-4-(6-amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-methoxy-2-methylphenyl)-3-methylpiperazine-1-carboxamide
CID 76282073
trans-N-[3-(4-methoxy-phenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-cyclohexane-1,4-diamine
CID 90389602
N-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875107
N-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
CID 141025097
N-[4-(4-methoxyphenoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162640227
Sdccggsk-0000007.P001
CID 9604943

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 3139598) is N-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCOc1ccc(Nc2ncnc3c2cnn3C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is RNJFSQBZCIAUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-3-20-11-6-4-10(5-7-11)18-13-12-8-17-19(2)14(12)16-9-15-13/h4-9H,3H2,1-2H3,(H,15,16,18).
What are the key properties of N-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 269.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 3139598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).