5-(2,4-dimethylphenyl)-7-(1-methylpiperidin-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine

C20H25N5 — CID 167544912

IUPAC5-(2,4-dimethylphenyl)-7-(1-methylpiperidin-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2cn(C3CCCN(C)C3)c3ncnc(N)c23)c(C)c1
InChIInChI=1S/C20H25N5/c1-13-6-7-16(14(2)9-13)17-11-25(15-5-4-8-24(3)10-15)20-18(17)19(21)22-12-23-20/h6-7,9,11-12,15H,4-5,8,10H2,1-3H3,(H2,21,22,23)
InChIKeyPLHDKERSNDNWKR-UHFFFAOYSA-N
MW335.46 g/mol
LogP3.56
Rot. Bonds2

About 5-(2,4-dimethylphenyl)-7-(1-methylpiperidin-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine

5-(2,4-dimethylphenyl)-7-(1-methylpiperidin-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 167544912) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-7-(1-methylpiperidin-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-7-(1-methylpiperidin-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID167544912
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC Name5-(2,4-dimethylphenyl)-7-(1-methylpiperidin-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2cn(C3CCCN(C)C3)c3ncnc(N)c23)c(C)c1
InChIInChI=1S/C20H25N5/c1-13-6-7-16(14(2)9-13)17-11-25(15-5-4-8-24(3)10-15)20-18(17)19(21)22-12-23-20/h6-7,9,11-12,15H,4-5,8,10H2,1-3H3,(H2,21,22,23)
InChIKeyPLHDKERSNDNWKR-UHFFFAOYSA-N
XLogP3.56
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-7-(1-methylpiperidin-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(2,4-dimethylphenyl)-7-(1-methylpiperidin-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 167544912) is 5-(2,4-dimethylphenyl)-7-(1-methylpiperidin-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-7-(1-methylpiperidin-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(2,4-dimethylphenyl)-7-(1-methylpiperidin-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine is Cc1ccc(-c2cn(C3CCCN(C)C3)c3ncnc(N)c23)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenyl)-7-(1-methylpiperidin-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is PLHDKERSNDNWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-13-6-7-16(14(2)9-13)17-11-25(15-5-4-8-24(3)10-15)20-18(17)19(21)22-12-23-20/h6-7,9,11-12,15H,4-5,8,10H2,1-3H3,(H2,21,22,23).
What are the key properties of 5-(2,4-dimethylphenyl)-7-(1-methylpiperidin-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
5-(2,4-dimethylphenyl)-7-(1-methylpiperidin-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 335.46 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-7-(1-methylpiperidin-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 167544912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).