N-[[2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine

C13H19N5 — CID 83189794

IUPACN-[[2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-n2nc(C)cc2C)nc1C
InChIInChI=1S/C13H19N5/c1-5-14-7-12-8-15-13(16-11(12)4)18-10(3)6-9(2)17-18/h6,8,14H,5,7H2,1-4H3
InChIKeyGJBIECQSWCRJOY-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.70
Rot. Bonds4

About N-[[2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine

N-[[2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine (PubChem CID 83189794) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[[2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine
PubChem CID83189794
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[[2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-n2nc(C)cc2C)nc1C
InChIInChI=1S/C13H19N5/c1-5-14-7-12-8-15-13(16-11(12)4)18-10(3)6-9(2)17-18/h6,8,14H,5,7H2,1-4H3
InChIKeyGJBIECQSWCRJOY-UHFFFAOYSA-N
XLogP1.70
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine (CID 83189794) is N-[[2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine is CCNCc1cnc(-n2nc(C)cc2C)nc1C.
What is the InChIKey of N-[[2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine?
The InChIKey is GJBIECQSWCRJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-5-14-7-12-8-15-13(16-11(12)4)18-10(3)6-9(2)17-18/h6,8,14H,5,7H2,1-4H3.
What are the key properties of N-[[2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine?
N-[[2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 83189794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).