2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine

C14H21N5 — CID 115530162

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
SMILESCCC(C)n1ccc(CC(N)c2ccnc(C)n2)n1
InChIInChI=1S/C14H21N5/c1-4-10(2)19-8-6-12(18-19)9-13(15)14-5-7-16-11(3)17-14/h5-8,10,13H,4,9,15H2,1-3H3
InChIKeyXDXOQGPICRBGNY-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.20
Rot. Bonds5

About 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine

2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine (PubChem CID 115530162) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
PubChem CID115530162
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
SMILESCCC(C)n1ccc(CC(N)c2ccnc(C)n2)n1
InChIInChI=1S/C14H21N5/c1-4-10(2)19-8-6-12(18-19)9-13(15)14-5-7-16-11(3)17-14/h5-8,10,13H,4,9,15H2,1-3H3
InChIKeyXDXOQGPICRBGNY-UHFFFAOYSA-N
XLogP2.20
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methyltriazol-4-yl)ethanamine
CID 112735847
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 105154687
1-(2-methylpyrimidin-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 115527999
2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923492
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530275
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105154650
1-(5-bromofuran-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanamine
CID 104989801
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 104989680
1-(2-methylpyrimidin-4-yl)-2-pyridin-4-ylethanamine
CID 115530469
2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide
CID 64991110
2-(2,5-dimethylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 113329517
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778474

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine (CID 115530162) is 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine is CCC(C)n1ccc(CC(N)c2ccnc(C)n2)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The InChIKey is XDXOQGPICRBGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-10(2)19-8-6-12(18-19)9-13(15)14-5-7-16-11(3)17-14/h5-8,10,13H,4,9,15H2,1-3H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine?
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine has a molecular weight of 259.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine is sourced from PubChem (CID 115530162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).