N-[[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine

C15H23N5 — CID 62289744

IUPACN-[[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1nc(C(C)C)ncc1-n1ccnc1CC
InChIInChI=1S/C15H23N5/c1-5-14-17-7-8-20(14)13-10-18-15(11(3)4)19-12(13)9-16-6-2/h7-8,10-11,16H,5-6,9H2,1-4H3
InChIKeyLLYBPYUGNMAGJH-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.46
Rot. Bonds6

About N-[[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine

N-[[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine (PubChem CID 62289744) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
PubChem CID62289744
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-[[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1nc(C(C)C)ncc1-n1ccnc1CC
InChIInChI=1S/C15H23N5/c1-5-14-17-7-8-20(14)13-10-18-15(11(3)4)19-12(13)9-16-6-2/h7-8,10-11,16H,5-6,9H2,1-4H3
InChIKeyLLYBPYUGNMAGJH-UHFFFAOYSA-N
XLogP2.46
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine (CID 62289744) is N-[[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine is CCNCc1nc(C(C)C)ncc1-n1ccnc1CC.
What is the InChIKey of N-[[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine?
The InChIKey is LLYBPYUGNMAGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-5-14-17-7-8-20(14)13-10-18-15(11(3)4)19-12(13)9-16-6-2/h7-8,10-11,16H,5-6,9H2,1-4H3.
What are the key properties of N-[[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine?
N-[[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 62289744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).