5-N-(2-aminoethyl)-4-(3-methoxyphenyl)pyrimidine-2,5-diamine

C13H17N5O — CID 117211103

IUPAC5-N-(2-aminoethyl)-4-(3-methoxyphenyl)pyrimidine-2,5-diamine
SMILESCOc1cccc(-c2nc(N)ncc2NCCN)c1
InChIInChI=1S/C13H17N5O/c1-19-10-4-2-3-9(7-10)12-11(16-6-5-14)8-17-13(15)18-12/h2-4,7-8,16H,5-6,14H2,1H3,(H2,15,17,18)
InChIKeySDVYFGXQOUEVIX-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.11
Rot. Bonds5

About 5-N-(2-aminoethyl)-4-(3-methoxyphenyl)pyrimidine-2,5-diamine

5-N-(2-aminoethyl)-4-(3-methoxyphenyl)pyrimidine-2,5-diamine (PubChem CID 117211103) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-N-(2-aminoethyl)-4-(3-methoxyphenyl)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name5-N-(2-aminoethyl)-4-(3-methoxyphenyl)pyrimidine-2,5-diamine
PubChem CID117211103
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name5-N-(2-aminoethyl)-4-(3-methoxyphenyl)pyrimidine-2,5-diamine
SMILESCOc1cccc(-c2nc(N)ncc2NCCN)c1
InChIInChI=1S/C13H17N5O/c1-19-10-4-2-3-9(7-10)12-11(16-6-5-14)8-17-13(15)18-12/h2-4,7-8,16H,5-6,14H2,1H3,(H2,15,17,18)
InChIKeySDVYFGXQOUEVIX-UHFFFAOYSA-N
XLogP1.11
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-N-(2-aminoethyl)-4-(3-methoxyphenyl)pyrimidine-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[4-(3-methoxyphenyl)-2-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine
CID 117211775
N'-[2-(3-methoxyphenyl)-4-propan-2-ylpyrimidin-5-yl]ethane-1,2-diamine
CID 117212084
N'-[4-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211444
N'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212327
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
5-(4-aminopiperidin-1-yl)-4-(3-methoxyphenyl)pyrimidin-2-amine
CID 117211071
N'-[4-(4-methoxyphenyl)-2-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine
CID 117211984
N'-[4-(3-chlorophenyl)-2-methylpyrimidin-5-yl]propane-1,3-diamine
CID 117211122
N'-[4-(3-chlorophenyl)-2-ethylpyrimidin-5-yl]propane-1,3-diamine
CID 117211767
N'-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine
CID 82191626
N'-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211279
6-(3-methoxyphenyl)-1,2,4-triazin-5-amine
CID 116823084

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-aminoethyl)-4-(3-methoxyphenyl)pyrimidine-2,5-diamine?
The IUPAC name of 5-N-(2-aminoethyl)-4-(3-methoxyphenyl)pyrimidine-2,5-diamine (CID 117211103) is 5-N-(2-aminoethyl)-4-(3-methoxyphenyl)pyrimidine-2,5-diamine.
What is the SMILES notation for 5-N-(2-aminoethyl)-4-(3-methoxyphenyl)pyrimidine-2,5-diamine?
The canonical SMILES for 5-N-(2-aminoethyl)-4-(3-methoxyphenyl)pyrimidine-2,5-diamine is COc1cccc(-c2nc(N)ncc2NCCN)c1.
What is the InChIKey of 5-N-(2-aminoethyl)-4-(3-methoxyphenyl)pyrimidine-2,5-diamine?
The InChIKey is SDVYFGXQOUEVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-19-10-4-2-3-9(7-10)12-11(16-6-5-14)8-17-13(15)18-12/h2-4,7-8,16H,5-6,14H2,1H3,(H2,15,17,18).
What are the key properties of 5-N-(2-aminoethyl)-4-(3-methoxyphenyl)pyrimidine-2,5-diamine?
5-N-(2-aminoethyl)-4-(3-methoxyphenyl)pyrimidine-2,5-diamine has a molecular weight of 259.31 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-aminoethyl)-4-(3-methoxyphenyl)pyrimidine-2,5-diamine is sourced from PubChem (CID 117211103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).