2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride

C15H23ClN4 — CID 10589935

IUPAC2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride
SMILESCCCC1=Cc2nc(C)nc(N3CCCCC3)c2[NH2+]1.[Cl-]
InChIInChI=1S/C15H22N4.ClH/c1-3-7-12-10-13-14(18-12)15(17-11(2)16-13)19-8-5-4-6-9-19;/h10,18H,3-9H2,1-2H3;1H
InChIKeyDTBLLHYKEJSUKD-UHFFFAOYSA-N
MW294.83 g/mol
LogP-0.87
Rot. Bonds3

About 2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride

2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride (PubChem CID 10589935) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride.

Molecular Properties

Compound Name2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride
PubChem CID10589935
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride
SMILESCCCC1=Cc2nc(C)nc(N3CCCCC3)c2[NH2+]1.[Cl-]
InChIInChI=1S/C15H22N4.ClH/c1-3-7-12-10-13-14(18-12)15(17-11(2)16-13)19-8-5-4-6-9-19;/h10,18H,3-9H2,1-2H3;1H
InChIKeyDTBLLHYKEJSUKD-UHFFFAOYSA-N
XLogP-0.87
TPSA45.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride?
The IUPAC name of 2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride (CID 10589935) is 2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride.
What is the SMILES notation for 2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride?
The canonical SMILES for 2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride is CCCC1=Cc2nc(C)nc(N3CCCCC3)c2[NH2+]1.[Cl-].
What is the InChIKey of 2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride?
The InChIKey is DTBLLHYKEJSUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4.ClH/c1-3-7-12-10-13-14(18-12)15(17-11(2)16-13)19-8-5-4-6-9-19;/h10,18H,3-9H2,1-2H3;1H.
What are the key properties of 2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride?
2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride has a molecular weight of 294.83 g/mol, XLogP of -0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperidin-1-yl-6-propyl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride is sourced from PubChem (CID 10589935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).