[4-(cyclopropylamino)-7-(4-fluoro-2-methoxyphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol

C19H23FN4O2 — CID 177284635

IUPAC[4-(cyclopropylamino)-7-(4-fluoro-2-methoxyphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol
SMILESCOc1cc(F)ccc1N1CC(C)(C)c2c(NC3CC3)nc(CO)nc21
InChIInChI=1S/C19H23FN4O2/c1-19(2)10-24(13-7-4-11(20)8-14(13)26-3)18-16(19)17(21-12-5-6-12)22-15(9-25)23-18/h4,7-8,12,25H,5-6,9-10H2,1-3H3,(H,21,22,23)
InChIKeyCLIGKKIZFMWRNM-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.12
Rot. Bonds5

About [4-(cyclopropylamino)-7-(4-fluoro-2-methoxyphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol

[4-(cyclopropylamino)-7-(4-fluoro-2-methoxyphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol (PubChem CID 177284635) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is [4-(cyclopropylamino)-7-(4-fluoro-2-methoxyphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-(cyclopropylamino)-7-(4-fluoro-2-methoxyphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol
PubChem CID177284635
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name[4-(cyclopropylamino)-7-(4-fluoro-2-methoxyphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol
SMILESCOc1cc(F)ccc1N1CC(C)(C)c2c(NC3CC3)nc(CO)nc21
InChIInChI=1S/C19H23FN4O2/c1-19(2)10-24(13-7-4-11(20)8-14(13)26-3)18-16(19)17(21-12-5-6-12)22-15(9-25)23-18/h4,7-8,12,25H,5-6,9-10H2,1-3H3,(H,21,22,23)
InChIKeyCLIGKKIZFMWRNM-UHFFFAOYSA-N
XLogP3.12
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(cyclopropylamino)-7-(4-fluoro-2-methoxyphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methyl (2R)-2-(trifluoromethyl)pyrrolidine-1-carboximidate
CID 177284747
N-cyclopropyl-1-(4-fluoro-2-methoxyphenyl)imidazol-2-amine
CID 106566452
7-(2,4-difluorophenyl)-2-[[5-fluoro-6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 160937353
[7-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-(2,2,2-trifluoroethylamino)-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methyl (2R)-2-(trifluoromethyl)pyrrolidine-1-carboximidate
CID 177284421
N-ethyl-1-(4-fluoro-2-methoxyphenyl)piperidin-4-amine
CID 54967542
8-(4-fluoro-2-methoxyphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740557
3-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine-2,5-dione
CID 64966592
1-(4-fluoro-2-methoxyphenyl)-3-methylpiperazine-2,5-dione
CID 64966580
N-ethyl-1-(4-fluoro-2-methoxyphenyl)pyrrolidin-3-amine
CID 54967543
N-cyclohexyl-5-fluoro-2-methoxyaniline
CID 82539597
1-(4-fluoro-2-methoxyphenyl)-N,2,3-trimethylpiperidin-4-amine
CID 79407907
1-cyclopentyl-3-[(5-fluoro-2-methoxyphenyl)methyl]urea
CID 110774857

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylamino)-7-(4-fluoro-2-methoxyphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol?
The IUPAC name of [4-(cyclopropylamino)-7-(4-fluoro-2-methoxyphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol (CID 177284635) is [4-(cyclopropylamino)-7-(4-fluoro-2-methoxyphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol.
What is the SMILES notation for [4-(cyclopropylamino)-7-(4-fluoro-2-methoxyphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol?
The canonical SMILES for [4-(cyclopropylamino)-7-(4-fluoro-2-methoxyphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol is COc1cc(F)ccc1N1CC(C)(C)c2c(NC3CC3)nc(CO)nc21.
What is the InChIKey of [4-(cyclopropylamino)-7-(4-fluoro-2-methoxyphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol?
The InChIKey is CLIGKKIZFMWRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-19(2)10-24(13-7-4-11(20)8-14(13)26-3)18-16(19)17(21-12-5-6-12)22-15(9-25)23-18/h4,7-8,12,25H,5-6,9-10H2,1-3H3,(H,21,22,23).
What are the key properties of [4-(cyclopropylamino)-7-(4-fluoro-2-methoxyphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol?
[4-(cyclopropylamino)-7-(4-fluoro-2-methoxyphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol has a molecular weight of 358.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylamino)-7-(4-fluoro-2-methoxyphenyl)-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-2-yl]methanol is sourced from PubChem (CID 177284635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).