2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine

C13H19N5 — CID 102923492

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
SMILESCCC(C)n1ccc(CC(N)c2cncnc2)n1
InChIInChI=1S/C13H19N5/c1-3-10(2)18-5-4-12(17-18)6-13(14)11-7-15-9-16-8-11/h4-5,7-10,13H,3,6,14H2,1-2H3
InChIKeyOSFBSGSBBHDJFF-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.89
Rot. Bonds5

About 2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine

2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine (PubChem CID 102923492) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
PubChem CID102923492
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
SMILESCCC(C)n1ccc(CC(N)c2cncnc2)n1
InChIInChI=1S/C13H19N5/c1-3-10(2)18-5-4-12(17-18)6-13(14)11-7-15-9-16-8-11/h4-5,7-10,13H,3,6,14H2,1-2H3
InChIKeyOSFBSGSBBHDJFF-UHFFFAOYSA-N
XLogP1.89
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 102923494
2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923732
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methyltriazol-4-yl)ethanamine
CID 112735847
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxyphenyl)ethanamine
CID 64785495
1-(5-bromofuran-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanamine
CID 104989801
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 105154687
2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanamine
CID 64772979
1-(1-butan-2-ylpyrazol-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135172
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 104989680
2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide
CID 64991110
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105103217
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530162

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine (CID 102923492) is 2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine is CCC(C)n1ccc(CC(N)c2cncnc2)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine?
The InChIKey is OSFBSGSBBHDJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-10(2)18-5-4-12(17-18)6-13(14)11-7-15-9-16-8-11/h4-5,7-10,13H,3,6,14H2,1-2H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine?
2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.89, 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-pyrimidin-5-ylethanamine is sourced from PubChem (CID 102923492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).