2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-pyrrolidin-1-yl-7H-purine

C17H19N7O — CID 177142081

IUPAC2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-pyrrolidin-1-yl-7H-purine
SMILESCOc1ncnc(C2CC2)c1-c1nc(N2CCCC2)c2[nH]cnc2n1
InChIInChI=1S/C17H19N7O/c1-25-17-11(12(10-4-5-10)18-9-21-17)14-22-15-13(19-8-20-15)16(23-14)24-6-2-3-7-24/h8-10H,2-7H2,1H3,(H,19,20,22,23)
InChIKeyWYKTURGIQVTLEU-UHFFFAOYSA-N
MW337.39 g/mol
LogP2.30
Rot. Bonds4

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-pyrrolidin-1-yl-7H-purine

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-pyrrolidin-1-yl-7H-purine (PubChem CID 177142081) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-pyrrolidin-1-yl-7H-purine.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-pyrrolidin-1-yl-7H-purine
PubChem CID177142081
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-pyrrolidin-1-yl-7H-purine
SMILESCOc1ncnc(C2CC2)c1-c1nc(N2CCCC2)c2[nH]cnc2n1
InChIInChI=1S/C17H19N7O/c1-25-17-11(12(10-4-5-10)18-9-21-17)14-22-15-13(19-8-20-15)16(23-14)24-6-2-3-7-24/h8-10H,2-7H2,1H3,(H,19,20,22,23)
InChIKeyWYKTURGIQVTLEU-UHFFFAOYSA-N
XLogP2.30
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-pyrrolidin-1-yl-7H-purine?
The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-pyrrolidin-1-yl-7H-purine (CID 177142081) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-pyrrolidin-1-yl-7H-purine.
What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-pyrrolidin-1-yl-7H-purine?
The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-pyrrolidin-1-yl-7H-purine is COc1ncnc(C2CC2)c1-c1nc(N2CCCC2)c2[nH]cnc2n1.
What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-pyrrolidin-1-yl-7H-purine?
The InChIKey is WYKTURGIQVTLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c1-25-17-11(12(10-4-5-10)18-9-21-17)14-22-15-13(19-8-20-15)16(23-14)24-6-2-3-7-24/h8-10H,2-7H2,1H3,(H,19,20,22,23).
What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-pyrrolidin-1-yl-7H-purine?
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-pyrrolidin-1-yl-7H-purine has a molecular weight of 337.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-pyrrolidin-1-yl-7H-purine is sourced from PubChem (CID 177142081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).