7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride

C13H19ClN4O — CID 3078652

IUPAC7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
SMILESCC1CCN(c2ncc3c(n2)N(C)C(=O)C3)CC1.Cl
InChIInChI=1S/C13H18N4O.ClH/c1-9-3-5-17(6-4-9)13-14-8-10-7-11(18)16(2)12(10)15-13;/h8-9H,3-7H2,1-2H3;1H
InChIKeyNHQBLPLJWZBYFY-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.65
Rot. Bonds1

About 7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride

7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride (PubChem CID 3078652) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
PubChem CID3078652
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
SMILESCC1CCN(c2ncc3c(n2)N(C)C(=O)C3)CC1.Cl
InChIInChI=1S/C13H18N4O.ClH/c1-9-3-5-17(6-4-9)13-14-8-10-7-11(18)16(2)12(10)15-13;/h8-9H,3-7H2,1-2H3;1H
InChIKeyNHQBLPLJWZBYFY-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

Analyze 7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-((1-methylethyl)amino)-, monohydrochloride
CID 3078644
Ms 430
CID 6449457
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(hexahydro-1H-1,4-diazepin-1-yl)-7-methyl-
CID 3078642
1-Piperazinecarboxamide, N,N-diethyl-4-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-
CID 3078643
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-morpholinyl)-, monohydrochloride
CID 3078646
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-thiomorpholinyl)-, monohydrochloride
CID 3078648
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(3-methyl-1-piperidinyl)-, monohydrochloride
CID 3078650
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylethyl)-1-piperidinyl)-, monohydrochloride
CID 3078654
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-(1,1-dimethylethyl)-1-piperidinyl)-7-methyl-, monohydrochloride
CID 3078656
4-Piperidinecarbonitrile, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride
CID 3078662
4-Piperidinecarboxylic acid, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-,ethyl ester, monohydrochloride
CID 3078664
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(1,4'-bipiperidin)-1'-yl-7-methyl-, monohydrochloride
CID 3078666

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
The IUPAC name of 7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride (CID 3078652) is 7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
The canonical SMILES for 7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride is CC1CCN(c2ncc3c(n2)N(C)C(=O)C3)CC1.Cl.
What is the InChIKey of 7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
The InChIKey is NHQBLPLJWZBYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O.ClH/c1-9-3-5-17(6-4-9)13-14-8-10-7-11(18)16(2)12(10)15-13;/h8-9H,3-7H2,1-2H3;1H.
What are the key properties of 7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
7-methyl-2-(4-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-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 3078652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).