2-[1-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-2-yl]ethanol

C20H24N4O — CID 10667042

IUPAC2-[1-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-2-yl]ethanol
SMILESCc1nc(N2CCCCC2CCO)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C20H24N4O/c1-14-21-18-13-17(15-7-3-2-4-8-15)23-19(18)20(22-14)24-11-6-5-9-16(24)10-12-25/h2-4,7-8,13,16,23,25H,5-6,9-12H2,1H3
InChIKeySCUJDTWWAAGNNN-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.67
Rot. Bonds4

About 2-[1-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-2-yl]ethanol

2-[1-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-2-yl]ethanol (PubChem CID 10667042) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[1-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-2-yl]ethanol
PubChem CID10667042
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-[1-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-2-yl]ethanol
SMILESCc1nc(N2CCCCC2CCO)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C20H24N4O/c1-14-21-18-13-17(15-7-3-2-4-8-15)23-19(18)20(22-14)24-11-6-5-9-16(24)10-12-25/h2-4,7-8,13,16,23,25H,5-6,9-12H2,1H3
InChIKeySCUJDTWWAAGNNN-UHFFFAOYSA-N
XLogP3.67
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-2-yl]ethanol (CID 10667042) is 2-[1-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-2-yl]ethanol is Cc1nc(N2CCCCC2CCO)c2[nH]c(-c3ccccc3)cc2n1.
What is the InChIKey of 2-[1-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-2-yl]ethanol?
The InChIKey is SCUJDTWWAAGNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-21-18-13-17(15-7-3-2-4-8-15)23-19(18)20(22-14)24-11-6-5-9-16(24)10-12-25/h2-4,7-8,13,16,23,25H,5-6,9-12H2,1H3.
What are the key properties of 2-[1-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-2-yl]ethanol?
2-[1-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-2-yl]ethanol has a molecular weight of 336.44 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-2-yl]ethanol is sourced from PubChem (CID 10667042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).