N"-(5-methoxy-4,6-dimethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine

C16H23N5O — CID 21149293

IUPACN"-(5-methoxy-4,6-dimethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine
SMILESCOc1c(C)nc(NC(N)NCCc2ccccc2)nc1C
InChIInChI=1S/C16H23N5O/c1-11-14(22-3)12(2)20-16(19-11)21-15(17)18-10-9-13-7-5-4-6-8-13/h4-8,15,18H,9-10,17H2,1-3H3,(H,19,20,21)
InChIKeyWLYJSLFLDDQJRT-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.59
Rot. Bonds7

About N"-(5-methoxy-4,6-dimethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine

N"-(5-methoxy-4,6-dimethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine (PubChem CID 21149293) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N"-(5-methoxy-4,6-dimethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine.

Molecular Properties

Compound NameN"-(5-methoxy-4,6-dimethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine
PubChem CID21149293
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN"-(5-methoxy-4,6-dimethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine
SMILESCOc1c(C)nc(NC(N)NCCc2ccccc2)nc1C
InChIInChI=1S/C16H23N5O/c1-11-14(22-3)12(2)20-16(19-11)21-15(17)18-10-9-13-7-5-4-6-8-13/h4-8,15,18H,9-10,17H2,1-3H3,(H,19,20,21)
InChIKeyWLYJSLFLDDQJRT-UHFFFAOYSA-N
XLogP1.59
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N"-(5-methoxy-4,6-dimethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine 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-methoxy-4,6-dimethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine?
The IUPAC name of N"-(5-methoxy-4,6-dimethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine (CID 21149293) is N"-(5-methoxy-4,6-dimethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine.
What is the SMILES notation for N"-(5-methoxy-4,6-dimethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine?
The canonical SMILES for N"-(5-methoxy-4,6-dimethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine is COc1c(C)nc(NC(N)NCCc2ccccc2)nc1C.
What is the InChIKey of N"-(5-methoxy-4,6-dimethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine?
The InChIKey is WLYJSLFLDDQJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-11-14(22-3)12(2)20-16(19-11)21-15(17)18-10-9-13-7-5-4-6-8-13/h4-8,15,18H,9-10,17H2,1-3H3,(H,19,20,21).
What are the key properties of N"-(5-methoxy-4,6-dimethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine?
N"-(5-methoxy-4,6-dimethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine has a molecular weight of 301.39 g/mol, XLogP of 1.59, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N"-(5-methoxy-4,6-dimethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine is sourced from PubChem (CID 21149293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).