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

C14H21N5O — CID 110430461

IUPAC2-[4-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESCc1nc(N2CCN(CCO)CC2)c2cc(C)[nH]c2n1
InChIInChI=1S/C14H21N5O/c1-10-9-12-13(15-10)16-11(2)17-14(12)19-5-3-18(4-6-19)7-8-20/h9,20H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyHYSBFMLIZBOYBU-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.69
Rot. Bonds3

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

2-[4-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol (PubChem CID 110430461) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[4-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
PubChem CID110430461
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-[4-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESCc1nc(N2CCN(CCO)CC2)c2cc(C)[nH]c2n1
InChIInChI=1S/C14H21N5O/c1-10-9-12-13(15-10)16-11(2)17-14(12)19-5-3-18(4-6-19)7-8-20/h9,20H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyHYSBFMLIZBOYBU-UHFFFAOYSA-N
XLogP0.69
TPSA68.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol with MolForge

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Related Compounds

2-[4-(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 110431089
4-(azepan-1-yl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
CID 110430224
2-[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 6484478
2-[4-(5-fluoro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 143431082
4-(azepan-1-yl)-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 91961000
2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 80780137
ethene;2-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 144625270
2-[4-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 28848470
2-[4-(3,5,6-trifluoro-2-pyridinyl)piperazin-1-yl]ethanol
CID 106547734
2-[4-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 4178655
2-[4-(5-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 136551352
2-[4-(2-hydrazinylquinazolin-4-yl)piperazin-1-yl]ethanol
CID 80898065

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol (CID 110430461) is 2-[4-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol is Cc1nc(N2CCN(CCO)CC2)c2cc(C)[nH]c2n1.
What is the InChIKey of 2-[4-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol?
The InChIKey is HYSBFMLIZBOYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-10-9-12-13(15-10)16-11(2)17-14(12)19-5-3-18(4-6-19)7-8-20/h9,20H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[4-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol?
2-[4-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol has a molecular weight of 275.36 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 110430461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).