7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

C20H18N4O2 — CID 54548436

IUPAC7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(OC)cc(-n2cc(-c3ccccc3)c3c(N)ncnc32)c1
InChIInChI=1S/C20H18N4O2/c1-25-15-8-14(9-16(10-15)26-2)24-11-17(13-6-4-3-5-7-13)18-19(21)22-12-23-20(18)24/h3-12H,1-2H3,(H2,21,22,23)
InChIKeyZIEZCNLCIFZGMQ-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.69
Rot. Bonds4

About 7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 54548436) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID54548436
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(OC)cc(-n2cc(-c3ccccc3)c3c(N)ncnc32)c1
InChIInChI=1S/C20H18N4O2/c1-25-15-8-14(9-16(10-15)26-2)24-11-17(13-6-4-3-5-7-13)18-19(21)22-12-23-20(18)24/h3-12H,1-2H3,(H2,21,22,23)
InChIKeyZIEZCNLCIFZGMQ-UHFFFAOYSA-N
XLogP3.69
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[4-(chloromethyl)phenyl]-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 101044608
12-(4-methoxyphenyl)-10-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 2755490
7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 11495297
5-phenyl-7-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 54208528
N-(2-methoxyethyl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4053205
4-(4-methoxy-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 166138070
7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 70206153
4-[4-(3-methoxyphenyl)piperazin-1-yl]-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
CID 4617707
7-[3-(2-chloroethoxy)phenyl]-5-(3-methoxy-4-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 54542138
N-butyl-7-(4-methoxyphenyl)-N-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 3563626
4-(4-ethylpiperazin-1-yl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
CID 3521644
3-[[4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)phenyl]methylamino]propan-1-ol
CID 70205374

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 54548436) is 7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is COc1cc(OC)cc(-n2cc(-c3ccccc3)c3c(N)ncnc32)c1.
What is the InChIKey of 7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ZIEZCNLCIFZGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-25-15-8-14(9-16(10-15)26-2)24-11-17(13-6-4-3-5-7-13)18-19(21)22-12-23-20(18)24/h3-12H,1-2H3,(H2,21,22,23).
What are the key properties of 7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 346.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 54548436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).