5-ethyl-4-[4-(methoxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

C15H22N4O — CID 167867661

IUPAC5-ethyl-4-[4-(methoxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCc1c[nH]c2ncnc(N3CCC(COC)CC3)c12
InChIInChI=1S/C15H22N4O/c1-3-12-8-16-14-13(12)15(18-10-17-14)19-6-4-11(5-7-19)9-20-2/h8,10-11H,3-7,9H2,1-2H3,(H,16,17,18)
InChIKeyDNOHJVGAXDMSDK-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.38
Rot. Bonds4

About 5-ethyl-4-[4-(methoxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

5-ethyl-4-[4-(methoxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 167867661) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-ethyl-4-[4-(methoxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-ethyl-4-[4-(methoxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID167867661
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name5-ethyl-4-[4-(methoxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCc1c[nH]c2ncnc(N3CCC(COC)CC3)c12
InChIInChI=1S/C15H22N4O/c1-3-12-8-16-14-13(12)15(18-10-17-14)19-6-4-11(5-7-19)9-20-2/h8,10-11H,3-7,9H2,1-2H3,(H,16,17,18)
InChIKeyDNOHJVGAXDMSDK-UHFFFAOYSA-N
XLogP2.38
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[4-(methoxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-ethyl-4-[4-(methoxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 167867661) is 5-ethyl-4-[4-(methoxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-ethyl-4-[4-(methoxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-ethyl-4-[4-(methoxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is CCc1c[nH]c2ncnc(N3CCC(COC)CC3)c12.
What is the InChIKey of 5-ethyl-4-[4-(methoxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is DNOHJVGAXDMSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-12-8-16-14-13(12)15(18-10-17-14)19-6-4-11(5-7-19)9-20-2/h8,10-11H,3-7,9H2,1-2H3,(H,16,17,18).
What are the key properties of 5-ethyl-4-[4-(methoxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
5-ethyl-4-[4-(methoxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 274.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[4-(methoxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 167867661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).