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

C14H14N4O — CID 82375459

IUPAC4-(4-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-amine
SMILESCOc1ccc(-c2nc(C)nc3[nH]cc(N)c23)cc1
InChIInChI=1S/C14H14N4O/c1-8-17-13(9-3-5-10(19-2)6-4-9)12-11(15)7-16-14(12)18-8/h3-7H,15H2,1-2H3,(H,16,17,18)
InChIKeySIWPUJKPXITFNP-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.52
Rot. Bonds2

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

4-(4-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-amine (PubChem CID 82375459) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-amine
PubChem CID82375459
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-(4-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-amine
SMILESCOc1ccc(-c2nc(C)nc3[nH]cc(N)c23)cc1
InChIInChI=1S/C14H14N4O/c1-8-17-13(9-3-5-10(19-2)6-4-9)12-11(15)7-16-14(12)18-8/h3-7H,15H2,1-2H3,(H,16,17,18)
InChIKeySIWPUJKPXITFNP-UHFFFAOYSA-N
XLogP2.52
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxy-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 82376081
2,3-bis(4-methoxyphenyl)-5,6-dimethylpyrazine
CID 14100167
4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682
6-(4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80974618
[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 54851145
3-[6-(4-methoxyphenyl)-3-methyl-1,2,4-triazin-5-yl]-1H-indole
CID 6405233
2,3,8,9-tetrakis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline
CID 15620164
[4-(4-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
CID 82474358
2,6-bis(4-methoxyphenyl)-4-methylpyridin-3-amine
CID 66615323
5-bromo-4-[(4-methoxyphenoxy)methyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 84609700
4-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 82376080
5-chloro-4-(4-methoxyphenyl)-2-methyl-1H-imidazole
CID 54002462

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-amine?
The IUPAC name of 4-(4-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-amine (CID 82375459) is 4-(4-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-amine is COc1ccc(-c2nc(C)nc3[nH]cc(N)c23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-amine?
The InChIKey is SIWPUJKPXITFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-8-17-13(9-3-5-10(19-2)6-4-9)12-11(15)7-16-14(12)18-8/h3-7H,15H2,1-2H3,(H,16,17,18).
What are the key properties of 4-(4-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-amine?
4-(4-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-amine has a molecular weight of 254.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 82375459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).