N-[(2-ethylpyrazol-3-yl)methyl]-8-methyl-7H-purin-6-amine

C12H15N7 — CID 71689207

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-8-methyl-7H-purin-6-amine
SMILESCCn1nccc1CNc1ncnc2nc(C)[nH]c12
InChIInChI=1S/C12H15N7/c1-3-19-9(4-5-16-19)6-13-11-10-12(15-7-14-11)18-8(2)17-10/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,17,18)
InChIKeyUKJZSWIBFVDLHF-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.49
Rot. Bonds4

About N-[(2-ethylpyrazol-3-yl)methyl]-8-methyl-7H-purin-6-amine

N-[(2-ethylpyrazol-3-yl)methyl]-8-methyl-7H-purin-6-amine (PubChem CID 71689207) has the molecular formula C12H15N7 and a molecular weight of 257.30 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-8-methyl-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-8-methyl-7H-purin-6-amine
PubChem CID71689207
Molecular FormulaC12H15N7
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-8-methyl-7H-purin-6-amine
SMILESCCn1nccc1CNc1ncnc2nc(C)[nH]c12
InChIInChI=1S/C12H15N7/c1-3-19-9(4-5-16-19)6-13-11-10-12(15-7-14-11)18-8(2)17-10/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,17,18)
InChIKeyUKJZSWIBFVDLHF-UHFFFAOYSA-N
XLogP1.49
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-8-methyl-7H-purin-6-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-8-methyl-7H-purin-6-amine (CID 71689207) is N-[(2-ethylpyrazol-3-yl)methyl]-8-methyl-7H-purin-6-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-8-methyl-7H-purin-6-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-8-methyl-7H-purin-6-amine is CCn1nccc1CNc1ncnc2nc(C)[nH]c12.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-8-methyl-7H-purin-6-amine?
The InChIKey is UKJZSWIBFVDLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7/c1-3-19-9(4-5-16-19)6-13-11-10-12(15-7-14-11)18-8(2)17-10/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,17,18).
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-8-methyl-7H-purin-6-amine?
N-[(2-ethylpyrazol-3-yl)methyl]-8-methyl-7H-purin-6-amine has a molecular weight of 257.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-8-methyl-7H-purin-6-amine is sourced from PubChem (CID 71689207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).