1-N-(4,6-dimethoxypyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine

C15H18N4O2 — CID 115355772

IUPAC1-N-(4,6-dimethoxypyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine
SMILESCOc1cc(OC)nc(NC2c3ccccc3CC2N)n1
InChIInChI=1S/C15H18N4O2/c1-20-12-8-13(21-2)18-15(17-12)19-14-10-6-4-3-5-9(10)7-11(14)16/h3-6,8,11,14H,7,16H2,1-2H3,(H,17,18,19)
InChIKeyHJXXSDIKJVAMIS-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.53
Rot. Bonds4

About 1-N-(4,6-dimethoxypyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine

1-N-(4,6-dimethoxypyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine (PubChem CID 115355772) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-N-(4,6-dimethoxypyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine.

Molecular Properties

Compound Name1-N-(4,6-dimethoxypyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine
PubChem CID115355772
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name1-N-(4,6-dimethoxypyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine
SMILESCOc1cc(OC)nc(NC2c3ccccc3CC2N)n1
InChIInChI=1S/C15H18N4O2/c1-20-12-8-13(21-2)18-15(17-12)19-14-10-6-4-3-5-9(10)7-11(14)16/h3-6,8,11,14H,7,16H2,1-2H3,(H,17,18,19)
InChIKeyHJXXSDIKJVAMIS-UHFFFAOYSA-N
XLogP1.53
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-N-(4,6-dimethoxypyrimidin-2-yl)-2,3-dihydro-1H-indene-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 1-N-(4,6-dimethoxypyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine?
The IUPAC name of 1-N-(4,6-dimethoxypyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine (CID 115355772) is 1-N-(4,6-dimethoxypyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine.
What is the SMILES notation for 1-N-(4,6-dimethoxypyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine?
The canonical SMILES for 1-N-(4,6-dimethoxypyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine is COc1cc(OC)nc(NC2c3ccccc3CC2N)n1.
What is the InChIKey of 1-N-(4,6-dimethoxypyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine?
The InChIKey is HJXXSDIKJVAMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-20-12-8-13(21-2)18-15(17-12)19-14-10-6-4-3-5-9(10)7-11(14)16/h3-6,8,11,14H,7,16H2,1-2H3,(H,17,18,19).
What are the key properties of 1-N-(4,6-dimethoxypyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine?
1-N-(4,6-dimethoxypyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine has a molecular weight of 286.34 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4,6-dimethoxypyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine is sourced from PubChem (CID 115355772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).