6-methyl-4-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

C16H20N6 — CID 166333710

IUPAC6-methyl-4-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1cnn(C2CCCN(c3ncnc4[nH]c(C)cc34)C2)c1
InChIInChI=1S/C16H20N6/c1-11-7-19-22(8-11)13-4-3-5-21(9-13)16-14-6-12(2)20-15(14)17-10-18-16/h6-8,10,13H,3-5,9H2,1-2H3,(H,17,18,20)
InChIKeyWWYRIVRCJHKFAM-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.61
Rot. Bonds2

About 6-methyl-4-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

6-methyl-4-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 166333710) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 6-methyl-4-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-4-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID166333710
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name6-methyl-4-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1cnn(C2CCCN(c3ncnc4[nH]c(C)cc34)C2)c1
InChIInChI=1S/C16H20N6/c1-11-7-19-22(8-11)13-4-3-5-21(9-13)16-14-6-12(2)20-15(14)17-10-18-16/h6-8,10,13H,3-5,9H2,1-2H3,(H,17,18,20)
InChIKeyWWYRIVRCJHKFAM-UHFFFAOYSA-N
XLogP2.61
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 6-methyl-4-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 166333710) is 6-methyl-4-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 6-methyl-4-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 6-methyl-4-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is Cc1cnn(C2CCCN(c3ncnc4[nH]c(C)cc34)C2)c1.
What is the InChIKey of 6-methyl-4-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is WWYRIVRCJHKFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-11-7-19-22(8-11)13-4-3-5-21(9-13)16-14-6-12(2)20-15(14)17-10-18-16/h6-8,10,13H,3-5,9H2,1-2H3,(H,17,18,20).
What are the key properties of 6-methyl-4-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
6-methyl-4-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 296.38 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 166333710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).