2-(4-cyclopropyl-6-cyclopropyloxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidine

C16H15N5O — CID 164881368

IUPAC2-(4-cyclopropyl-6-cyclopropyloxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidine
SMILESc1nc(OC2CC2)c(-c2ncc3[nH]ccc3n2)c(C2CC2)n1
InChIInChI=1S/C16H15N5O/c1-2-9(1)14-13(16(20-8-19-14)22-10-3-4-10)15-18-7-12-11(21-15)5-6-17-12/h5-10,17H,1-4H2
InChIKeyXCNMNVXHFBMODL-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.83
Rot. Bonds4

About 2-(4-cyclopropyl-6-cyclopropyloxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidine

2-(4-cyclopropyl-6-cyclopropyloxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 164881368) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-cyclopropyloxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-cyclopropyloxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID164881368
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name2-(4-cyclopropyl-6-cyclopropyloxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidine
SMILESc1nc(OC2CC2)c(-c2ncc3[nH]ccc3n2)c(C2CC2)n1
InChIInChI=1S/C16H15N5O/c1-2-9(1)14-13(16(20-8-19-14)22-10-3-4-10)15-18-7-12-11(21-15)5-6-17-12/h5-10,17H,1-4H2
InChIKeyXCNMNVXHFBMODL-UHFFFAOYSA-N
XLogP2.83
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-cyclopropyloxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-(4-cyclopropyl-6-cyclopropyloxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidine (CID 164881368) is 2-(4-cyclopropyl-6-cyclopropyloxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-(4-cyclopropyl-6-cyclopropyloxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-(4-cyclopropyl-6-cyclopropyloxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidine is c1nc(OC2CC2)c(-c2ncc3[nH]ccc3n2)c(C2CC2)n1.
What is the InChIKey of 2-(4-cyclopropyl-6-cyclopropyloxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is XCNMNVXHFBMODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-2-9(1)14-13(16(20-8-19-14)22-10-3-4-10)15-18-7-12-11(21-15)5-6-17-12/h5-10,17H,1-4H2.
What are the key properties of 2-(4-cyclopropyl-6-cyclopropyloxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidine?
2-(4-cyclopropyl-6-cyclopropyloxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 293.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-6-cyclopropyloxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 164881368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).