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

C14H21N5 — CID 83188803

IUPACN-[[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-n2nc(C)c(C)c2C)nc1C
InChIInChI=1S/C14H21N5/c1-6-15-7-13-8-16-14(17-11(13)4)19-12(5)9(2)10(3)18-19/h8,15H,6-7H2,1-5H3
InChIKeyPOUUCXJVJMJITI-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.01
Rot. Bonds4

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

N-[[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methyl]ethanamine (PubChem CID 83188803) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-[[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methyl]ethanamine
PubChem CID83188803
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-[[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-n2nc(C)c(C)c2C)nc1C
InChIInChI=1S/C14H21N5/c1-6-15-7-13-8-16-14(17-11(13)4)19-12(5)9(2)10(3)18-19/h8,15H,6-7H2,1-5H3
InChIKeyPOUUCXJVJMJITI-UHFFFAOYSA-N
XLogP2.01
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methyl]ethanamine (CID 83188803) is N-[[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methyl]ethanamine is CCNCc1cnc(-n2nc(C)c(C)c2C)nc1C.
What is the InChIKey of N-[[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methyl]ethanamine?
The InChIKey is POUUCXJVJMJITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-6-15-7-13-8-16-14(17-11(13)4)19-12(5)9(2)10(3)18-19/h8,15H,6-7H2,1-5H3.
What are the key properties of N-[[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methyl]ethanamine?
N-[[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methyl]ethanamine has a molecular weight of 259.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 83188803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).