5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C13H11ClN4O — CID 146632225

IUPAC5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Cl)c(-c2c[nH]c3ncnc(N)c23)c1
InChIInChI=1S/C13H11ClN4O/c1-19-7-2-3-10(14)8(4-7)9-5-16-13-11(9)12(15)17-6-18-13/h2-6H,1H3,(H3,15,16,17,18)
InChIKeyOGNUMIAMVWGKLI-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.87
Rot. Bonds2

About 5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 146632225) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID146632225
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Cl)c(-c2c[nH]c3ncnc(N)c23)c1
InChIInChI=1S/C13H11ClN4O/c1-19-7-2-3-10(14)8(4-7)9-5-16-13-11(9)12(15)17-6-18-13/h2-6H,1H3,(H3,15,16,17,18)
InChIKeyOGNUMIAMVWGKLI-UHFFFAOYSA-N
XLogP2.87
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 18792935
5-(2-chloro-5-methoxyphenyl)-1H-pyrazol-3-amine
CID 117321002
5-bromo-4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine
CID 114072136
4-chloro-5-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 139222828
4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine
CID 80814894
5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 5357765
4-(2-chloro-5-methoxyphenyl)pyridine
CID 46316938
N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-2-methylpropanamide
CID 122181200
4-chloro-5-(2-chloro-5-methoxyphenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine
CID 142506973
[2-(3,4-dichlorophenyl)-4-methoxyphenyl]methanamine
CID 112749101
5-[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-chlorophenoxy]-N-methylpyridine-2-carboxamide
CID 134297153
1-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-(4-methoxyphenyl)urea
CID 67219455

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 146632225) is 5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is COc1ccc(Cl)c(-c2c[nH]c3ncnc(N)c23)c1.
What is the InChIKey of 5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is OGNUMIAMVWGKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-19-7-2-3-10(14)8(4-7)9-5-16-13-11(9)12(15)17-6-18-13/h2-6H,1H3,(H3,15,16,17,18).
What are the key properties of 5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 274.71 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 146632225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).