7-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine

C17H20N6O — CID 154575875

IUPAC7-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine
SMILESCn1ccc2c(N3CCC(COc4cnccn4)CC3)ncnc21
InChIInChI=1S/C17H20N6O/c1-22-7-4-14-16(22)20-12-21-17(14)23-8-2-13(3-9-23)11-24-15-10-18-5-6-19-15/h4-7,10,12-13H,2-3,8-9,11H2,1H3
InChIKeyRIZNSNFGOJHYEV-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.05
Rot. Bonds4

About 7-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine

7-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine (PubChem CID 154575875) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 7-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine
PubChem CID154575875
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name7-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine
SMILESCn1ccc2c(N3CCC(COc4cnccn4)CC3)ncnc21
InChIInChI=1S/C17H20N6O/c1-22-7-4-14-16(22)20-12-21-17(14)23-8-2-13(3-9-23)11-24-15-10-18-5-6-19-15/h4-7,10,12-13H,2-3,8-9,11H2,1H3
InChIKeyRIZNSNFGOJHYEV-UHFFFAOYSA-N
XLogP2.05
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine (CID 154575875) is 7-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine is Cn1ccc2c(N3CCC(COc4cnccn4)CC3)ncnc21.
What is the InChIKey of 7-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine?
The InChIKey is RIZNSNFGOJHYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-22-7-4-14-16(22)20-12-21-17(14)23-8-2-13(3-9-23)11-24-15-10-18-5-6-19-15/h4-7,10,12-13H,2-3,8-9,11H2,1H3.
What are the key properties of 7-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine?
7-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine has a molecular weight of 324.39 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 154575875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).