2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]ethanol

C19H24N6O — CID 98769740

IUPAC2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]ethanol
SMILESCc1cccc(CN2CCN(c3ncnc4[nH]ccc34)C[C@H]2CCO)n1
InChIInChI=1S/C19H24N6O/c1-14-3-2-4-15(23-14)11-24-8-9-25(12-16(24)6-10-26)19-17-5-7-20-18(17)21-13-22-19/h2-5,7,13,16,26H,6,8-12H2,1H3,(H,20,21,22)/t16-/m1/s1
InChIKeyPNIWJLSSYIJRBW-MRXNPFEDSA-N
MW352.44 g/mol
LogP1.73
Rot. Bonds5

About 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]ethanol

2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 98769740) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]ethanol
PubChem CID98769740
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]ethanol
SMILESCc1cccc(CN2CCN(c3ncnc4[nH]ccc34)C[C@H]2CCO)n1
InChIInChI=1S/C19H24N6O/c1-14-3-2-4-15(23-14)11-24-8-9-25(12-16(24)6-10-26)19-17-5-7-20-18(17)21-13-22-19/h2-5,7,13,16,26H,6,8-12H2,1H3,(H,20,21,22)/t16-/m1/s1
InChIKeyPNIWJLSSYIJRBW-MRXNPFEDSA-N
XLogP1.73
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

2-[(2R)-1-[(4-methylphenyl)methyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]ethanol
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2-[(2R)-4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
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(6R)-1-(3-hydroxypropyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4-diazepan-6-ol
CID 100597493
2-[(2R)-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
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2-[(2R)-4-[(E)-2-methyl-3-phenylprop-2-enyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
CID 98648561
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CID 51635125

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]ethanol (CID 98769740) is 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]ethanol is Cc1cccc(CN2CCN(c3ncnc4[nH]ccc34)C[C@H]2CCO)n1.
What is the InChIKey of 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is PNIWJLSSYIJRBW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N6O/c1-14-3-2-4-15(23-14)11-24-8-9-25(12-16(24)6-10-26)19-17-5-7-20-18(17)21-13-22-19/h2-5,7,13,16,26H,6,8-12H2,1H3,(H,20,21,22)/t16-/m1/s1.
What are the key properties of 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]ethanol?
2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 352.44 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 98769740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).