6-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine

C14H17N7 — CID 140943552

IUPAC6-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine
SMILESCc1nc2nc(Nc3cnn(C)c3C)nc(C3CC3)c2[nH]1
InChIInChI=1S/C14H17N7/c1-7-10(6-15-21(7)3)18-14-19-11(9-4-5-9)12-13(20-14)17-8(2)16-12/h6,9H,4-5H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyONHZVDMMAYAYCW-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.32
Rot. Bonds3

About 6-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine

6-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine (PubChem CID 140943552) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is 6-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine
PubChem CID140943552
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name6-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine
SMILESCc1nc2nc(Nc3cnn(C)c3C)nc(C3CC3)c2[nH]1
InChIInChI=1S/C14H17N7/c1-7-10(6-15-21(7)3)18-14-19-11(9-4-5-9)12-13(20-14)17-8(2)16-12/h6,9H,4-5H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyONHZVDMMAYAYCW-UHFFFAOYSA-N
XLogP2.32
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine?
The IUPAC name of 6-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine (CID 140943552) is 6-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine.
What is the SMILES notation for 6-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine?
The canonical SMILES for 6-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine is Cc1nc2nc(Nc3cnn(C)c3C)nc(C3CC3)c2[nH]1.
What is the InChIKey of 6-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine?
The InChIKey is ONHZVDMMAYAYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c1-7-10(6-15-21(7)3)18-14-19-11(9-4-5-9)12-13(20-14)17-8(2)16-12/h6,9H,4-5H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 6-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine?
6-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine has a molecular weight of 283.34 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(1,5-dimethylpyrazol-4-yl)-8-methyl-7H-purin-2-amine is sourced from PubChem (CID 140943552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).