N-methyl-1-[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methanamine

C13H19N5 — CID 83189032

IUPACN-methyl-1-[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(-n2nc(C)c(C)c2C)nc1C
InChIInChI=1S/C13H19N5/c1-8-9(2)17-18(11(8)4)13-15-7-12(6-14-5)10(3)16-13/h7,14H,6H2,1-5H3
InChIKeyGEHSXGAPGIZROF-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.62
Rot. Bonds3

About N-methyl-1-[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methanamine

N-methyl-1-[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methanamine (PubChem CID 83189032) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methanamine
PubChem CID83189032
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-methyl-1-[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(-n2nc(C)c(C)c2C)nc1C
InChIInChI=1S/C13H19N5/c1-8-9(2)17-18(11(8)4)13-15-7-12(6-14-5)10(3)16-13/h7,14H,6H2,1-5H3
InChIKeyGEHSXGAPGIZROF-UHFFFAOYSA-N
XLogP1.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methanamine (CID 83189032) is N-methyl-1-[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methanamine is CNCc1cnc(-n2nc(C)c(C)c2C)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methanamine?
The InChIKey is GEHSXGAPGIZROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-8-9(2)17-18(11(8)4)13-15-7-12(6-14-5)10(3)16-13/h7,14H,6H2,1-5H3.
What are the key properties of N-methyl-1-[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methanamine?
N-methyl-1-[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methanamine has a molecular weight of 245.33 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 83189032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).