5-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine

C14H25N5 — CID 72920787

IUPAC5-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
SMILESCCc1cnc(NCCCN2CCN(C)CC2)nc1
InChIInChI=1S/C14H25N5/c1-3-13-11-16-14(17-12-13)15-5-4-6-19-9-7-18(2)8-10-19/h11-12H,3-10H2,1-2H3,(H,15,16,17)
InChIKeyORTPJCURXBZNHT-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.09
Rot. Bonds6

About 5-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine

5-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine (PubChem CID 72920787) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 5-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
PubChem CID72920787
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name5-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
SMILESCCc1cnc(NCCCN2CCN(C)CC2)nc1
InChIInChI=1S/C14H25N5/c1-3-13-11-16-14(17-12-13)15-5-4-6-19-9-7-18(2)8-10-19/h11-12H,3-10H2,1-2H3,(H,15,16,17)
InChIKeyORTPJCURXBZNHT-UHFFFAOYSA-N
XLogP1.09
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.09
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-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine?
The IUPAC name of 5-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine (CID 72920787) is 5-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine is CCc1cnc(NCCCN2CCN(C)CC2)nc1.
What is the InChIKey of 5-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine?
The InChIKey is ORTPJCURXBZNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-3-13-11-16-14(17-12-13)15-5-4-6-19-9-7-18(2)8-10-19/h11-12H,3-10H2,1-2H3,(H,15,16,17).
What are the key properties of 5-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine?
5-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine has a molecular weight of 263.39 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 72920787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).