4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine

C20H24N4 — CID 11792634

IUPAC4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(N2[C@H](C)CCC[C@@H]2C)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C20H24N4/c1-13-8-7-9-14(2)24(13)20-19-18(21-15(3)22-20)12-17(23-19)16-10-5-4-6-11-16/h4-6,10-14,23H,7-9H2,1-3H3/t13-,14+
InChIKeyXRMBHXZDIZLUCJ-OKILXGFUSA-N
MW320.44 g/mol
LogP4.70
Rot. Bonds2

About 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine

4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 11792634) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID11792634
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(N2[C@H](C)CCC[C@@H]2C)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C20H24N4/c1-13-8-7-9-14(2)24(13)20-19-18(21-15(3)22-20)12-17(23-19)16-10-5-4-6-11-16/h4-6,10-14,23H,7-9H2,1-3H3/t13-,14+
InChIKeyXRMBHXZDIZLUCJ-OKILXGFUSA-N
XLogP4.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine (CID 11792634) is 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine is Cc1nc(N2[C@H](C)CCC[C@@H]2C)c2[nH]c(-c3ccccc3)cc2n1.
What is the InChIKey of 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is XRMBHXZDIZLUCJ-OKILXGFUSA-N. The full InChI is InChI=1S/C20H24N4/c1-13-8-7-9-14(2)24(13)20-19-18(21-15(3)22-20)12-17(23-19)16-10-5-4-6-11-16/h4-6,10-14,23H,7-9H2,1-3H3/t13-,14+.
What are the key properties of 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine?
4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 320.44 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 11792634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).