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

C12H16N4 — CID 18008429

IUPAC4-(2-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC1CCCCN1c1ncnc2[nH]ccc12
InChIInChI=1S/C12H16N4/c1-9-4-2-3-7-16(9)12-10-5-6-13-11(10)14-8-15-12/h5-6,8-9H,2-4,7H2,1H3,(H,13,14,15)
InChIKeyTUDFWDRQFZNJSM-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.34
Rot. Bonds1

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

4-(2-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 18008429) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 4-(2-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID18008429
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name4-(2-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC1CCCCN1c1ncnc2[nH]ccc12
InChIInChI=1S/C12H16N4/c1-9-4-2-3-7-16(9)12-10-5-6-13-11(10)14-8-15-12/h5-6,8-9H,2-4,7H2,1H3,(H,13,14,15)
InChIKeyTUDFWDRQFZNJSM-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(2-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (CID 18008429) is 4-(2-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is CC1CCCCN1c1ncnc2[nH]ccc12.
What is the InChIKey of 4-(2-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is TUDFWDRQFZNJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-4-2-3-7-16(9)12-10-5-6-13-11(10)14-8-15-12/h5-6,8-9H,2-4,7H2,1H3,(H,13,14,15).
What are the key properties of 4-(2-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
4-(2-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 216.29 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 18008429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).