N-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine

C19H25N5 — CID 4902322

IUPACN-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCc1c(C)n(-c2ccccc2)c2ncnc(NCCCN(C)C)c12
InChIInChI=1S/C19H25N5/c1-14-15(2)24(16-9-6-5-7-10-16)19-17(14)18(21-13-22-19)20-11-8-12-23(3)4/h5-7,9-10,13H,8,11-12H2,1-4H3,(H,20,21,22)
InChIKeyLGDJWTGDKILNQD-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.40
Rot. Bonds6

About N-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine

N-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 4902322) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID4902322
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC NameN-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCc1c(C)n(-c2ccccc2)c2ncnc(NCCCN(C)C)c12
InChIInChI=1S/C19H25N5/c1-14-15(2)24(16-9-6-5-7-10-16)19-17(14)18(21-13-22-19)20-11-8-12-23(3)4/h5-7,9-10,13H,8,11-12H2,1-4H3,(H,20,21,22)
InChIKeyLGDJWTGDKILNQD-UHFFFAOYSA-N
XLogP3.40
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-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-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine (CID 4902322) is N-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine is Cc1c(C)n(-c2ccccc2)c2ncnc(NCCCN(C)C)c12.
What is the InChIKey of N-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is LGDJWTGDKILNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-14-15(2)24(16-9-6-5-7-10-16)19-17(14)18(21-13-22-19)20-11-8-12-23(3)4/h5-7,9-10,13H,8,11-12H2,1-4H3,(H,20,21,22).
What are the key properties of N-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 323.44 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 4902322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).