4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine

C12H16N4 — CID 67250071

IUPAC4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC1CCN(c2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C12H16N4/c1-9-3-6-16(7-4-9)12-10-2-5-13-11(10)14-8-15-12/h2,5,8-9H,3-4,6-7H2,1H3,(H,13,14,15)
InChIKeyQAWRIYFTCUNRIU-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.19
Rot. Bonds1

About 4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine

4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 67250071) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID67250071
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC1CCN(c2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C12H16N4/c1-9-3-6-16(7-4-9)12-10-2-5-13-11(10)14-8-15-12/h2,5,8-9H,3-4,6-7H2,1H3,(H,13,14,15)
InChIKeyQAWRIYFTCUNRIU-UHFFFAOYSA-N
XLogP2.19
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (CID 67250071) is 4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is CC1CCN(c2ncnc3[nH]ccc23)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is QAWRIYFTCUNRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-3-6-16(7-4-9)12-10-2-5-13-11(10)14-8-15-12/h2,5,8-9H,3-4,6-7H2,1H3,(H,13,14,15).
What are the key properties of 4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 216.29 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 67250071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).