2-[4-(4-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol

C17H20N4O2 — CID 4971901

IUPAC2-[4-(4-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol
SMILESCOc1ccc(Nc2ncnc3c2c(C)c(C)n3CCO)cc1
InChIInChI=1S/C17H20N4O2/c1-11-12(2)21(8-9-22)17-15(11)16(18-10-19-17)20-13-4-6-14(23-3)7-5-13/h4-7,10,22H,8-9H2,1-3H3,(H,18,19,20)
InChIKeyQPGZAHWCCYAXQJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.79
Rot. Bonds5

About 2-[4-(4-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol

2-[4-(4-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol (PubChem CID 4971901) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[4-(4-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol
PubChem CID4971901
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-[4-(4-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol
SMILESCOc1ccc(Nc2ncnc3c2c(C)c(C)n3CCO)cc1
InChIInChI=1S/C17H20N4O2/c1-11-12(2)21(8-9-22)17-15(11)16(18-10-19-17)20-13-4-6-14(23-3)7-5-13/h4-7,10,22H,8-9H2,1-3H3,(H,18,19,20)
InChIKeyQPGZAHWCCYAXQJ-UHFFFAOYSA-N
XLogP2.79
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol with MolForge

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Related Compounds

N-{4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl}-4-{2-methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-amine
CID 6539010
9-butyl-8-(4-methoxybenzyl)-9H-purin-6-amine
CID 5289227
2,4-Disubstituted Pyrimidine 2g
CID 5329420
1-{9-isopropyl-6-[(4-methoxyphenyl)amino]-9H-purin-2-yl}-3-methylpent-1-yn-3-ol
CID 6538966
1-{6-[(4-ethoxyphenyl)amino]-9-isopropyl-9H-purin-2-yl}-3-methylpent-1-yn-3-ol
CID 6538967
Cvt-313
CID 6918386
N-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875107
N-[4-(4-methoxyphenoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162640227
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 25183355
6-(4-methoxybenzyl)-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 44444208
3-[4-Amino-7-[4-[2-(2-hydroxyethylamino)ethoxy]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol
CID 44565861
(2S)-2-[[6-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 117804364

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol?
The IUPAC name of 2-[4-(4-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol (CID 4971901) is 2-[4-(4-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol.
What is the SMILES notation for 2-[4-(4-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol?
The canonical SMILES for 2-[4-(4-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol is COc1ccc(Nc2ncnc3c2c(C)c(C)n3CCO)cc1.
What is the InChIKey of 2-[4-(4-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol?
The InChIKey is QPGZAHWCCYAXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11-12(2)21(8-9-22)17-15(11)16(18-10-19-17)20-13-4-6-14(23-3)7-5-13/h4-7,10,22H,8-9H2,1-3H3,(H,18,19,20).
What are the key properties of 2-[4-(4-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol?
2-[4-(4-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol has a molecular weight of 312.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyanilino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]ethanol is sourced from PubChem (CID 4971901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).