6-amino-4-(fluoromethoxy)-7-(3-methoxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile

C18H18FN5O2 — CID 176792258

IUPAC6-amino-4-(fluoromethoxy)-7-(3-methoxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCOc1ccc(C)c(-n2c(N)c(C#N)c3c(OCF)nc(C)nc32)c1C
InChIInChI=1S/C18H18FN5O2/c1-9-5-6-13(25-4)10(2)15(9)24-16(21)12(7-20)14-17(24)22-11(3)23-18(14)26-8-19/h5-6H,8,21H2,1-4H3
InChIKeySVZORHLMHKUQFF-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.11
Rot. Bonds4

About 6-amino-4-(fluoromethoxy)-7-(3-methoxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile

6-amino-4-(fluoromethoxy)-7-(3-methoxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 176792258) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 6-amino-4-(fluoromethoxy)-7-(3-methoxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(fluoromethoxy)-7-(3-methoxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID176792258
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name6-amino-4-(fluoromethoxy)-7-(3-methoxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCOc1ccc(C)c(-n2c(N)c(C#N)c3c(OCF)nc(C)nc32)c1C
InChIInChI=1S/C18H18FN5O2/c1-9-5-6-13(25-4)10(2)15(9)24-16(21)12(7-20)14-17(24)22-11(3)23-18(14)26-8-19/h5-6H,8,21H2,1-4H3
InChIKeySVZORHLMHKUQFF-UHFFFAOYSA-N
XLogP3.11
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-amino-4-(fluoromethoxy)-7-(3-methoxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-Diamino-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 469884
4-Amino-6-(3-methoxy-2-methylphenyl)-2,7-dimethylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 166625953
US12011444, Example 822
CID 137308163
US12011444, Example 1001
CID 141525037
2-(4-Methoxyphenyl)-9-methyl-4-pyrrolidin-1-ylpyrido[2,3-b]indole-3-carbonitrile
CID 23245548
6-[2-(7-Fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidine-4-carbonitrile
CID 135333390
4-[[1,3-dimethyl-2-[(Z)-2-(methylideneamino)ethenyl]pyrrolo[2,3-b]pyridin-6-yl]amino]-2-(2-fluoroethoxy)benzonitrile
CID 146609997
2-Amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 156869484
6-Amino-5-(3-methoxy-2,6-dimethylphenyl)-2-phenylmethoxy-3-(trifluoromethyl)pyrrolo[2,3-b]pyrazine-7-carbonitrile
CID 156869625
6-Amino-7-(3-fluoro-5-methoxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 170637978
6-Amino-7-(3-methoxy-2,6-dimethylphenyl)-2-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 170637991
2-Amino-7-fluoro-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carbonitrile
CID 170638006

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(fluoromethoxy)-7-(3-methoxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 6-amino-4-(fluoromethoxy)-7-(3-methoxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 176792258) is 6-amino-4-(fluoromethoxy)-7-(3-methoxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(fluoromethoxy)-7-(3-methoxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 6-amino-4-(fluoromethoxy)-7-(3-methoxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile is COc1ccc(C)c(-n2c(N)c(C#N)c3c(OCF)nc(C)nc32)c1C.
What is the InChIKey of 6-amino-4-(fluoromethoxy)-7-(3-methoxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is SVZORHLMHKUQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-9-5-6-13(25-4)10(2)15(9)24-16(21)12(7-20)14-17(24)22-11(3)23-18(14)26-8-19/h5-6H,8,21H2,1-4H3.
What are the key properties of 6-amino-4-(fluoromethoxy)-7-(3-methoxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile?
6-amino-4-(fluoromethoxy)-7-(3-methoxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 355.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(fluoromethoxy)-7-(3-methoxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 176792258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).