5-ethyl-N-[3-(2-ethylimidazol-1-yl)propyl]pyrimidin-2-amine

C14H21N5 — CID 72890109

IUPAC5-ethyl-N-[3-(2-ethylimidazol-1-yl)propyl]pyrimidin-2-amine
SMILESCCc1cnc(NCCCn2ccnc2CC)nc1
InChIInChI=1S/C14H21N5/c1-3-12-10-17-14(18-11-12)16-6-5-8-19-9-7-15-13(19)4-2/h7,9-11H,3-6,8H2,1-2H3,(H,16,17,18)
InChIKeyDJFXRPLPXVXBLW-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.30
Rot. Bonds7

About 5-ethyl-N-[3-(2-ethylimidazol-1-yl)propyl]pyrimidin-2-amine

5-ethyl-N-[3-(2-ethylimidazol-1-yl)propyl]pyrimidin-2-amine (PubChem CID 72890109) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 5-ethyl-N-[3-(2-ethylimidazol-1-yl)propyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[3-(2-ethylimidazol-1-yl)propyl]pyrimidin-2-amine
PubChem CID72890109
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name5-ethyl-N-[3-(2-ethylimidazol-1-yl)propyl]pyrimidin-2-amine
SMILESCCc1cnc(NCCCn2ccnc2CC)nc1
InChIInChI=1S/C14H21N5/c1-3-12-10-17-14(18-11-12)16-6-5-8-19-9-7-15-13(19)4-2/h7,9-11H,3-6,8H2,1-2H3,(H,16,17,18)
InChIKeyDJFXRPLPXVXBLW-UHFFFAOYSA-N
XLogP2.30
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[3-(2-ethylimidazol-1-yl)propyl]pyrimidin-2-amine?
The IUPAC name of 5-ethyl-N-[3-(2-ethylimidazol-1-yl)propyl]pyrimidin-2-amine (CID 72890109) is 5-ethyl-N-[3-(2-ethylimidazol-1-yl)propyl]pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-N-[3-(2-ethylimidazol-1-yl)propyl]pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-N-[3-(2-ethylimidazol-1-yl)propyl]pyrimidin-2-amine is CCc1cnc(NCCCn2ccnc2CC)nc1.
What is the InChIKey of 5-ethyl-N-[3-(2-ethylimidazol-1-yl)propyl]pyrimidin-2-amine?
The InChIKey is DJFXRPLPXVXBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-3-12-10-17-14(18-11-12)16-6-5-8-19-9-7-15-13(19)4-2/h7,9-11H,3-6,8H2,1-2H3,(H,16,17,18).
What are the key properties of 5-ethyl-N-[3-(2-ethylimidazol-1-yl)propyl]pyrimidin-2-amine?
5-ethyl-N-[3-(2-ethylimidazol-1-yl)propyl]pyrimidin-2-amine has a molecular weight of 259.36 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[3-(2-ethylimidazol-1-yl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 72890109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).