N-benzyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

C20H27N5 — CID 4896989

IUPACN-benzyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(CCCN(C)C)c2ncnc(NCc3ccccc3)c12
InChIInChI=1S/C20H27N5/c1-15-16(2)25(12-8-11-24(3)4)20-18(15)19(22-14-23-20)21-13-17-9-6-5-7-10-17/h5-7,9-10,14H,8,11-13H2,1-4H3,(H,21,22,23)
InChIKeyDXUFEOUMAASFLB-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.61
Rot. Bonds7

About N-benzyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

N-benzyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 4896989) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-benzyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID4896989
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC NameN-benzyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(CCCN(C)C)c2ncnc(NCc3ccccc3)c12
InChIInChI=1S/C20H27N5/c1-15-16(2)25(12-8-11-24(3)4)20-18(15)19(22-14-23-20)21-13-17-9-6-5-7-10-17/h5-7,9-10,14H,8,11-13H2,1-4H3,(H,21,22,23)
InChIKeyDXUFEOUMAASFLB-UHFFFAOYSA-N
XLogP3.61
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 4896989) is N-benzyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1c(C)n(CCCN(C)C)c2ncnc(NCc3ccccc3)c12.
What is the InChIKey of N-benzyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is DXUFEOUMAASFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5/c1-15-16(2)25(12-8-11-24(3)4)20-18(15)19(22-14-23-20)21-13-17-9-6-5-7-10-17/h5-7,9-10,14H,8,11-13H2,1-4H3,(H,21,22,23).
What are the key properties of N-benzyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
N-benzyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 337.47 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-[3-(dimethylamino)propyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4896989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).