N-(1-benzylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C19H23N5 — CID 78038889

IUPACN-(1-benzylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(c1ncnc2[nH]ccc12)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H23N5/c1-23(19-17-9-10-20-18(17)21-14-22-19)16-8-5-11-24(13-16)12-15-6-3-2-4-7-15/h2-4,6-7,9-10,14,16H,5,8,11-13H2,1H3,(H,20,21,22)
InChIKeyUKJRPQVURCWTIS-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.06
Rot. Bonds4

About N-(1-benzylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(1-benzylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 78038889) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID78038889
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC NameN-(1-benzylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(c1ncnc2[nH]ccc12)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H23N5/c1-23(19-17-9-10-20-18(17)21-14-22-19)16-8-5-11-24(13-16)12-15-6-3-2-4-7-15/h2-4,6-7,9-10,14,16H,5,8,11-13H2,1H3,(H,20,21,22)
InChIKeyUKJRPQVURCWTIS-UHFFFAOYSA-N
XLogP3.06
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 78038889) is N-(1-benzylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CN(c1ncnc2[nH]ccc12)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is UKJRPQVURCWTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-23(19-17-9-10-20-18(17)21-14-22-19)16-8-5-11-24(13-16)12-15-6-3-2-4-7-15/h2-4,6-7,9-10,14,16H,5,8,11-13H2,1H3,(H,20,21,22).
What are the key properties of N-(1-benzylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(1-benzylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 321.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 78038889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).