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

C20H24ClN5 — CID 22282872

IUPACN-[[1-[(3-chlorophenyl)methyl]-4-methylpiperidin-3-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1CCN(Cc2cccc(Cl)c2)CC1CNc1ncnc2[nH]ccc12
InChIInChI=1S/C20H24ClN5/c1-14-6-8-26(11-15-3-2-4-17(21)9-15)12-16(14)10-23-20-18-5-7-22-19(18)24-13-25-20/h2-5,7,9,13-14,16H,6,8,10-12H2,1H3,(H2,22,23,24,25)
InChIKeyRYLUGLHUTMJENY-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.18
Rot. Bonds5

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

N-[[1-[(3-chlorophenyl)methyl]-4-methylpiperidin-3-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 22282872) has the molecular formula C20H24ClN5 and a molecular weight of 369.90 g/mol. Its IUPAC name is N-[[1-[(3-chlorophenyl)methyl]-4-methylpiperidin-3-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-[(3-chlorophenyl)methyl]-4-methylpiperidin-3-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID22282872
Molecular FormulaC20H24ClN5
Molecular Weight369.90 g/mol
Exact Mass369.17
IUPAC NameN-[[1-[(3-chlorophenyl)methyl]-4-methylpiperidin-3-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1CCN(Cc2cccc(Cl)c2)CC1CNc1ncnc2[nH]ccc12
InChIInChI=1S/C20H24ClN5/c1-14-6-8-26(11-15-3-2-4-17(21)9-15)12-16(14)10-23-20-18-5-7-22-19(18)24-13-25-20/h2-5,7,9,13-14,16H,6,8,10-12H2,1H3,(H2,22,23,24,25)
InChIKeyRYLUGLHUTMJENY-UHFFFAOYSA-N
XLogP4.18
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chlorophenyl)methyl]-4-methylpiperidin-3-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[1-[(3-chlorophenyl)methyl]-4-methylpiperidin-3-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 22282872) is N-[[1-[(3-chlorophenyl)methyl]-4-methylpiperidin-3-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[1-[(3-chlorophenyl)methyl]-4-methylpiperidin-3-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[1-[(3-chlorophenyl)methyl]-4-methylpiperidin-3-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC1CCN(Cc2cccc(Cl)c2)CC1CNc1ncnc2[nH]ccc12.
What is the InChIKey of N-[[1-[(3-chlorophenyl)methyl]-4-methylpiperidin-3-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is RYLUGLHUTMJENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5/c1-14-6-8-26(11-15-3-2-4-17(21)9-15)12-16(14)10-23-20-18-5-7-22-19(18)24-13-25-20/h2-5,7,9,13-14,16H,6,8,10-12H2,1H3,(H2,22,23,24,25).
What are the key properties of N-[[1-[(3-chlorophenyl)methyl]-4-methylpiperidin-3-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[[1-[(3-chlorophenyl)methyl]-4-methylpiperidin-3-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 369.90 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-chlorophenyl)methyl]-4-methylpiperidin-3-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 22282872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).