2-(2,5-dimethylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine

C12H17N5 — CID 113329517

IUPAC2-(2,5-dimethylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
SMILESCc1cc(CC(N)c2ccnc(C)n2)n(C)n1
InChIInChI=1S/C12H17N5/c1-8-6-10(17(3)16-8)7-11(13)12-4-5-14-9(2)15-12/h4-6,11H,7,13H2,1-3H3
InChIKeyHHGNEOVVEIVLDE-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.07
Rot. Bonds3

About 2-(2,5-dimethylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine

2-(2,5-dimethylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine (PubChem CID 113329517) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
PubChem CID113329517
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
SMILESCc1cc(CC(N)c2ccnc(C)n2)n(C)n1
InChIInChI=1S/C12H17N5/c1-8-6-10(17(3)16-8)7-11(13)12-4-5-14-9(2)15-12/h4-6,11H,7,13H2,1-3H3
InChIKeyHHGNEOVVEIVLDE-UHFFFAOYSA-N
XLogP1.07
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530275
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107975911
1-(2-methylpyrimidin-4-yl)-2-pyridin-4-ylethanamine
CID 115530469
2-(2,5-dimethylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105158663
1-(2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 79522417
2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530048
1-(5-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 104996300
1-(2-methylpyrimidin-4-yl)-2-naphthalen-1-ylethanamine
CID 115530277
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530162
1-(2,6-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 104996048
2-(3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530243
2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 104996061

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine (CID 113329517) is 2-(2,5-dimethylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine is Cc1cc(CC(N)c2ccnc(C)n2)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The InChIKey is HHGNEOVVEIVLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-8-6-10(17(3)16-8)7-11(13)12-4-5-14-9(2)15-12/h4-6,11H,7,13H2,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine?
2-(2,5-dimethylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine is sourced from PubChem (CID 113329517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).