N'-[5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-yl]ethane-1,2-diamine

C15H20N4O2 — CID 103278941

IUPACN'-[5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-yl]ethane-1,2-diamine
SMILESCOc1ccc(-c2cnc(NCCN)nc2C)cc1OC
InChIInChI=1S/C15H20N4O2/c1-10-12(9-18-15(19-10)17-7-6-16)11-4-5-13(20-2)14(8-11)21-3/h4-5,8-9H,6-7,16H2,1-3H3,(H,17,18,19)
InChIKeyYYLFPZFMCKKSDI-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.84
Rot. Bonds6

About N'-[5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-yl]ethane-1,2-diamine

N'-[5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-yl]ethane-1,2-diamine (PubChem CID 103278941) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N'-[5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-yl]ethane-1,2-diamine
PubChem CID103278941
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN'-[5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-yl]ethane-1,2-diamine
SMILESCOc1ccc(-c2cnc(NCCN)nc2C)cc1OC
InChIInChI=1S/C15H20N4O2/c1-10-12(9-18-15(19-10)17-7-6-16)11-4-5-13(20-2)14(8-11)21-3/h4-5,8-9H,6-7,16H2,1-3H3,(H,17,18,19)
InChIKeyYYLFPZFMCKKSDI-UHFFFAOYSA-N
XLogP1.84
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N'-[5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-yl]ethane-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-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-[5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-yl]ethane-1,2-diamine (CID 103278941) is N'-[5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-yl]ethane-1,2-diamine is COc1ccc(-c2cnc(NCCN)nc2C)cc1OC.
What is the InChIKey of N'-[5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-yl]ethane-1,2-diamine?
The InChIKey is YYLFPZFMCKKSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-12(9-18-15(19-10)17-7-6-16)11-4-5-13(20-2)14(8-11)21-3/h4-5,8-9H,6-7,16H2,1-3H3,(H,17,18,19).
What are the key properties of N'-[5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-yl]ethane-1,2-diamine?
N'-[5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-yl]ethane-1,2-diamine has a molecular weight of 288.35 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 103278941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).