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

C19H23N5O — CID 110431089

IUPAC2-[4-(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESCc1cc2c(N3CCN(CCO)CC3)nc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C19H23N5O/c1-14-13-16-18(20-14)21-17(15-5-3-2-4-6-15)22-19(16)24-9-7-23(8-10-24)11-12-25/h2-6,13,25H,7-12H2,1H3,(H,20,21,22)
InChIKeyDFCUHXZNELFVIO-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.05
Rot. Bonds4

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

2-[4-(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol (PubChem CID 110431089) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-[4-(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
PubChem CID110431089
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-[4-(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESCc1cc2c(N3CCN(CCO)CC3)nc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C19H23N5O/c1-14-13-16-18(20-14)21-17(15-5-3-2-4-6-15)22-19(16)24-9-7-23(8-10-24)11-12-25/h2-6,13,25H,7-12H2,1H3,(H,20,21,22)
InChIKeyDFCUHXZNELFVIO-UHFFFAOYSA-N
XLogP2.05
TPSA68.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[4-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 110430461
4-(2-ethylimidazol-1-yl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine
CID 110430714
(2S)-1-(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;sulfane
CID 158883891
4-(4-benzylpiperazin-1-yl)-6-methyl-2-phenylthieno[2,3-d]pyrimidine
CID 91965217
2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
CID 102284424
2-[4-(2-hydrazinylquinazolin-4-yl)piperazin-1-yl]ethanol
CID 80898065
2-[4-[2-(4-chlorophenyl)-6,7,8-trimethoxyquinazolin-4-yl]piperazin-1-yl]ethanol
CID 22997421
6-methyl-4-(1-methylimidazol-2-yl)sulfanyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine
CID 110430898
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-methyl-2-phenylthieno[2,3-d]pyrimidine
CID 91965219
4-(4-benzylpiperazin-1-yl)-2-phenylquinazoline
CID 1191881
N-(2-methoxyethyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430534
4-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)quinazoline;hydrochloride
CID 2790962

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol (CID 110431089) is 2-[4-(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol is Cc1cc2c(N3CCN(CCO)CC3)nc(-c3ccccc3)nc2[nH]1.
What is the InChIKey of 2-[4-(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol?
The InChIKey is DFCUHXZNELFVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14-13-16-18(20-14)21-17(15-5-3-2-4-6-15)22-19(16)24-9-7-23(8-10-24)11-12-25/h2-6,13,25H,7-12H2,1H3,(H,20,21,22).
What are the key properties of 2-[4-(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol?
2-[4-(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol has a molecular weight of 337.43 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 110431089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).