N-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine

C12H19N5 — CID 170556578

IUPACN-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCCc1c[nH]c2ncnc(NCCN(C)C)c12
InChIInChI=1S/C12H19N5/c1-4-9-7-14-12-10(9)11(15-8-16-12)13-5-6-17(2)3/h7-8H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyPGJMDHJRNUTBHC-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.49
Rot. Bonds5

About N-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine

N-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 170556578) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID170556578
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCCc1c[nH]c2ncnc(NCCN(C)C)c12
InChIInChI=1S/C12H19N5/c1-4-9-7-14-12-10(9)11(15-8-16-12)13-5-6-17(2)3/h7-8H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyPGJMDHJRNUTBHC-UHFFFAOYSA-N
XLogP1.49
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine 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-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine (CID 170556578) is N-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine is CCc1c[nH]c2ncnc(NCCN(C)C)c12.
What is the InChIKey of N-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is PGJMDHJRNUTBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-4-9-7-14-12-10(9)11(15-8-16-12)13-5-6-17(2)3/h7-8H,4-6H2,1-3H3,(H2,13,14,15,16).
What are the key properties of N-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine?
N-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 233.32 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 170556578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).