7-methyl-2-(3-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride

C13H19ClN4O — CID 3078650

IUPAC7-methyl-2-(3-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
SMILESCC1CCCN(c2ncc3c(n2)N(C)C(=O)C3)C1.Cl
InChIInChI=1S/C13H18N4O.ClH/c1-9-4-3-5-17(8-9)13-14-7-10-6-11(18)16(2)12(10)15-13;/h7,9H,3-6,8H2,1-2H3;1H
InChIKeyWXIKCEZXHWGDKB-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.65
Rot. Bonds1

About 7-methyl-2-(3-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride

7-methyl-2-(3-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride (PubChem CID 3078650) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 7-methyl-2-(3-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name7-methyl-2-(3-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
PubChem CID3078650
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name7-methyl-2-(3-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
SMILESCC1CCCN(c2ncc3c(n2)N(C)C(=O)C3)C1.Cl
InChIInChI=1S/C13H18N4O.ClH/c1-9-4-3-5-17(8-9)13-14-7-10-6-11(18)16(2)12(10)15-13;/h7,9H,3-6,8H2,1-2H3;1H
InChIKeyWXIKCEZXHWGDKB-UHFFFAOYSA-N
XLogP1.65
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(3-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
The IUPAC name of 7-methyl-2-(3-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride (CID 3078650) is 7-methyl-2-(3-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 7-methyl-2-(3-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
The canonical SMILES for 7-methyl-2-(3-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride is CC1CCCN(c2ncc3c(n2)N(C)C(=O)C3)C1.Cl.
What is the InChIKey of 7-methyl-2-(3-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
The InChIKey is WXIKCEZXHWGDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O.ClH/c1-9-4-3-5-17(8-9)13-14-7-10-6-11(18)16(2)12(10)15-13;/h7,9H,3-6,8H2,1-2H3;1H.
What are the key properties of 7-methyl-2-(3-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
7-methyl-2-(3-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(3-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 3078650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).