2,4-diamino-6-(2,2-dimethylchromen-6-yl)pyrimidine-5-carbonitrile

C16H15N5O — CID 169398397

IUPAC2,4-diamino-6-(2,2-dimethylchromen-6-yl)pyrimidine-5-carbonitrile
SMILESCC1(C)C=Cc2cc(-c3nc(N)nc(N)c3C#N)ccc2O1
InChIInChI=1S/C16H15N5O/c1-16(2)6-5-9-7-10(3-4-12(9)22-16)13-11(8-17)14(18)21-15(19)20-13/h3-7H,1-2H3,(H4,18,19,20,21)
InChIKeyROIUMYDBNUJMJF-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.36
Rot. Bonds1

About 2,4-diamino-6-(2,2-dimethylchromen-6-yl)pyrimidine-5-carbonitrile

2,4-diamino-6-(2,2-dimethylchromen-6-yl)pyrimidine-5-carbonitrile (PubChem CID 169398397) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 2,4-diamino-6-(2,2-dimethylchromen-6-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-(2,2-dimethylchromen-6-yl)pyrimidine-5-carbonitrile
PubChem CID169398397
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name2,4-diamino-6-(2,2-dimethylchromen-6-yl)pyrimidine-5-carbonitrile
SMILESCC1(C)C=Cc2cc(-c3nc(N)nc(N)c3C#N)ccc2O1
InChIInChI=1S/C16H15N5O/c1-16(2)6-5-9-7-10(3-4-12(9)22-16)13-11(8-17)14(18)21-15(19)20-13/h3-7H,1-2H3,(H4,18,19,20,21)
InChIKeyROIUMYDBNUJMJF-UHFFFAOYSA-N
XLogP2.36
TPSA110.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,4-diamino-6-(2,2-dimethylchromen-6-yl)pyrimidine-5-carbonitrile 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 2,4-diamino-6-(2,2-dimethylchromen-6-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-(2,2-dimethylchromen-6-yl)pyrimidine-5-carbonitrile (CID 169398397) is 2,4-diamino-6-(2,2-dimethylchromen-6-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-(2,2-dimethylchromen-6-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-(2,2-dimethylchromen-6-yl)pyrimidine-5-carbonitrile is CC1(C)C=Cc2cc(-c3nc(N)nc(N)c3C#N)ccc2O1.
What is the InChIKey of 2,4-diamino-6-(2,2-dimethylchromen-6-yl)pyrimidine-5-carbonitrile?
The InChIKey is ROIUMYDBNUJMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-16(2)6-5-9-7-10(3-4-12(9)22-16)13-11(8-17)14(18)21-15(19)20-13/h3-7H,1-2H3,(H4,18,19,20,21).
What are the key properties of 2,4-diamino-6-(2,2-dimethylchromen-6-yl)pyrimidine-5-carbonitrile?
2,4-diamino-6-(2,2-dimethylchromen-6-yl)pyrimidine-5-carbonitrile has a molecular weight of 293.33 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-(2,2-dimethylchromen-6-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 169398397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).