N-(3-methoxyphenyl)-5,6-dimethyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

C20H19N5O — CID 4971439

IUPACN-(3-methoxyphenyl)-5,6-dimethyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2ncnc3c2c(C)c(C)n3-c2ccccn2)c1
InChIInChI=1S/C20H19N5O/c1-13-14(2)25(17-9-4-5-10-21-17)20-18(13)19(22-12-23-20)24-15-7-6-8-16(11-15)26-3/h4-12H,1-3H3,(H,22,23,24)
InChIKeyANVMWXQSCKIHMD-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.18
Rot. Bonds4

About N-(3-methoxyphenyl)-5,6-dimethyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

N-(3-methoxyphenyl)-5,6-dimethyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 4971439) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5,6-dimethyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5,6-dimethyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID4971439
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-(3-methoxyphenyl)-5,6-dimethyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2ncnc3c2c(C)c(C)n3-c2ccccn2)c1
InChIInChI=1S/C20H19N5O/c1-13-14(2)25(17-9-4-5-10-21-17)20-18(13)19(22-12-23-20)24-15-7-6-8-16(11-15)26-3/h4-12H,1-3H3,(H,22,23,24)
InChIKeyANVMWXQSCKIHMD-UHFFFAOYSA-N
XLogP4.18
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[3-(dimethylamino)propyl]-N-(3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4896854
7-(3,5-difluorophenyl)-N-(3,5-dimethoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 46290416
6-N-(3-methoxyphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 22543892
7-(4-fluorophenyl)-5,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 46290431
7-methoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 21003078
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-5,6-dimethyl-7-(6-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 69231210
5-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine
CID 141103872
6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine
CID 709498
3-ethyl-N-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 7584473
4-N-(3-methoxyphenyl)-6-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23482454
7-(3,4-difluorophenyl)-N-(3,4-dimethoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 46290375
7-(3-chlorophenyl)-N-(3,5-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 46290460

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-5,6-dimethyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-methoxyphenyl)-5,6-dimethyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 4971439) is N-(3-methoxyphenyl)-5,6-dimethyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-5,6-dimethyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-methoxyphenyl)-5,6-dimethyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is COc1cccc(Nc2ncnc3c2c(C)c(C)n3-c2ccccn2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-5,6-dimethyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ANVMWXQSCKIHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-13-14(2)25(17-9-4-5-10-21-17)20-18(13)19(22-12-23-20)24-15-7-6-8-16(11-15)26-3/h4-12H,1-3H3,(H,22,23,24).
What are the key properties of N-(3-methoxyphenyl)-5,6-dimethyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
N-(3-methoxyphenyl)-5,6-dimethyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 345.41 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-5,6-dimethyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4971439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).