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

C15H23ClN4O — CID 3078654

IUPAC7-methyl-2-(4-propan-2-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
SMILESCC(C)C1CCN(c2ncc3c(n2)N(C)C(=O)C3)CC1.Cl
InChIInChI=1S/C15H22N4O.ClH/c1-10(2)11-4-6-19(7-5-11)15-16-9-12-8-13(20)18(3)14(12)17-15;/h9-11H,4-8H2,1-3H3;1H
InChIKeyRMHBVYZTFIVDGD-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.29
Rot. Bonds2

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

7-methyl-2-(4-propan-2-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride (PubChem CID 3078654) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 7-methyl-2-(4-propan-2-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name7-methyl-2-(4-propan-2-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
PubChem CID3078654
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name7-methyl-2-(4-propan-2-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
SMILESCC(C)C1CCN(c2ncc3c(n2)N(C)C(=O)C3)CC1.Cl
InChIInChI=1S/C15H22N4O.ClH/c1-10(2)11-4-6-19(7-5-11)15-16-9-12-8-13(20)18(3)14(12)17-15;/h9-11H,4-8H2,1-3H3;1H
InChIKeyRMHBVYZTFIVDGD-UHFFFAOYSA-N
XLogP2.29
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(4-propan-2-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
The IUPAC name of 7-methyl-2-(4-propan-2-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride (CID 3078654) is 7-methyl-2-(4-propan-2-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 7-methyl-2-(4-propan-2-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
The canonical SMILES for 7-methyl-2-(4-propan-2-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride is CC(C)C1CCN(c2ncc3c(n2)N(C)C(=O)C3)CC1.Cl.
What is the InChIKey of 7-methyl-2-(4-propan-2-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
The InChIKey is RMHBVYZTFIVDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O.ClH/c1-10(2)11-4-6-19(7-5-11)15-16-9-12-8-13(20)18(3)14(12)17-15;/h9-11H,4-8H2,1-3H3;1H.
What are the key properties of 7-methyl-2-(4-propan-2-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
7-methyl-2-(4-propan-2-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride has a molecular weight of 310.83 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(4-propan-2-ylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 3078654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).