N-[[4-methyl-2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]ethanamine

C14H21N5O — CID 116803018

IUPACN-[[4-methyl-2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]ethanamine
SMILESCCCn1cc(Oc2ncc(CNCC)c(C)n2)cn1
InChIInChI=1S/C14H21N5O/c1-4-6-19-10-13(9-17-19)20-14-16-8-12(7-15-5-2)11(3)18-14/h8-10,15H,4-7H2,1-3H3
InChIKeyUUNYXHIYTQQEIU-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.29
Rot. Bonds7

About N-[[4-methyl-2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]ethanamine

N-[[4-methyl-2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]ethanamine (PubChem CID 116803018) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[[4-methyl-2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]ethanamine
PubChem CID116803018
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-[[4-methyl-2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]ethanamine
SMILESCCCn1cc(Oc2ncc(CNCC)c(C)n2)cn1
InChIInChI=1S/C14H21N5O/c1-4-6-19-10-13(9-17-19)20-14-16-8-12(7-15-5-2)11(3)18-14/h8-10,15H,4-7H2,1-3H3
InChIKeyUUNYXHIYTQQEIU-UHFFFAOYSA-N
XLogP2.29
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-methyl-2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]ethanamine (CID 116803018) is N-[[4-methyl-2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methyl-2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-methyl-2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]ethanamine is CCCn1cc(Oc2ncc(CNCC)c(C)n2)cn1.
What is the InChIKey of N-[[4-methyl-2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]ethanamine?
The InChIKey is UUNYXHIYTQQEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-4-6-19-10-13(9-17-19)20-14-16-8-12(7-15-5-2)11(3)18-14/h8-10,15H,4-7H2,1-3H3.
What are the key properties of N-[[4-methyl-2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]ethanamine?
N-[[4-methyl-2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]ethanamine has a molecular weight of 275.36 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 116803018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).