N-ethyl-6-(imidazol-1-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C12H15N7 — CID 63220953

IUPACN-ethyl-6-(imidazol-1-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(Cn2ccnc2)nc2c1cnn2C
InChIInChI=1S/C12H15N7/c1-3-14-11-9-6-15-18(2)12(9)17-10(16-11)7-19-5-4-13-8-19/h4-6,8H,3,7H2,1-2H3,(H,14,16,17)
InChIKeyPLONADVLDXVYOQ-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.04
Rot. Bonds4

About N-ethyl-6-(imidazol-1-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

N-ethyl-6-(imidazol-1-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63220953) has the molecular formula C12H15N7 and a molecular weight of 257.30 g/mol. Its IUPAC name is N-ethyl-6-(imidazol-1-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(imidazol-1-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63220953
Molecular FormulaC12H15N7
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC NameN-ethyl-6-(imidazol-1-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(Cn2ccnc2)nc2c1cnn2C
InChIInChI=1S/C12H15N7/c1-3-14-11-9-6-15-18(2)12(9)17-10(16-11)7-19-5-4-13-8-19/h4-6,8H,3,7H2,1-2H3,(H,14,16,17)
InChIKeyPLONADVLDXVYOQ-UHFFFAOYSA-N
XLogP1.04
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(imidazol-1-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(imidazol-1-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 63220953) is N-ethyl-6-(imidazol-1-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(imidazol-1-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(imidazol-1-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCNc1nc(Cn2ccnc2)nc2c1cnn2C.
What is the InChIKey of N-ethyl-6-(imidazol-1-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PLONADVLDXVYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7/c1-3-14-11-9-6-15-18(2)12(9)17-10(16-11)7-19-5-4-13-8-19/h4-6,8H,3,7H2,1-2H3,(H,14,16,17).
What are the key properties of N-ethyl-6-(imidazol-1-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
N-ethyl-6-(imidazol-1-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 257.30 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(imidazol-1-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63220953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).