1-N-[4-(2,5-dimethylfuran-3-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine

C18H20N4O — CID 14347134

IUPAC1-N-[4-(2,5-dimethylfuran-3-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCc1cc(-c2ccnc(Nc3ccc(N(C)C)cc3)n2)c(C)o1
InChIInChI=1S/C18H20N4O/c1-12-11-16(13(2)23-12)17-9-10-19-18(21-17)20-14-5-7-15(8-6-14)22(3)4/h5-11H,1-4H3,(H,19,20,21)
InChIKeyMGJHFVHCWYGDJO-UHFFFAOYSA-N
MW308.39 g/mol
LogP4.16
Rot. Bonds4

About 1-N-[4-(2,5-dimethylfuran-3-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-[4-(2,5-dimethylfuran-3-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 14347134) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-N-[4-(2,5-dimethylfuran-3-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[4-(2,5-dimethylfuran-3-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID14347134
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name1-N-[4-(2,5-dimethylfuran-3-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCc1cc(-c2ccnc(Nc3ccc(N(C)C)cc3)n2)c(C)o1
InChIInChI=1S/C18H20N4O/c1-12-11-16(13(2)23-12)17-9-10-19-18(21-17)20-14-5-7-15(8-6-14)22(3)4/h5-11H,1-4H3,(H,19,20,21)
InChIKeyMGJHFVHCWYGDJO-UHFFFAOYSA-N
XLogP4.16
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-N-[4-(2,5-dimethylfuran-3-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-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 1-N-[4-(2,5-dimethylfuran-3-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[4-(2,5-dimethylfuran-3-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 14347134) is 1-N-[4-(2,5-dimethylfuran-3-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[4-(2,5-dimethylfuran-3-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[4-(2,5-dimethylfuran-3-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine is Cc1cc(-c2ccnc(Nc3ccc(N(C)C)cc3)n2)c(C)o1.
What is the InChIKey of 1-N-[4-(2,5-dimethylfuran-3-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is MGJHFVHCWYGDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12-11-16(13(2)23-12)17-9-10-19-18(21-17)20-14-5-7-15(8-6-14)22(3)4/h5-11H,1-4H3,(H,19,20,21).
What are the key properties of 1-N-[4-(2,5-dimethylfuran-3-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-[4-(2,5-dimethylfuran-3-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 308.39 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(2,5-dimethylfuran-3-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 14347134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).