5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine

C17H30N4 — CID 5276767

IUPAC5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCCCCCCc1c(C)nc(N(C)C)nc1N1CCCC1
InChIInChI=1S/C17H30N4/c1-5-6-7-8-11-15-14(2)18-17(20(3)4)19-16(15)21-12-9-10-13-21/h5-13H2,1-4H3
InChIKeyHXMKYIULMGJJAE-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.57
Rot. Bonds7

About 5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine

5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 5276767) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID5276767
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCCCCCCc1c(C)nc(N(C)C)nc1N1CCCC1
InChIInChI=1S/C17H30N4/c1-5-6-7-8-11-15-14(2)18-17(20(3)4)19-16(15)21-12-9-10-13-21/h5-13H2,1-4H3
InChIKeyHXMKYIULMGJJAE-UHFFFAOYSA-N
XLogP3.57
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of 5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine (CID 5276767) is 5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for 5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine is CCCCCCc1c(C)nc(N(C)C)nc1N1CCCC1.
What is the InChIKey of 5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is HXMKYIULMGJJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-6-7-8-11-15-14(2)18-17(20(3)4)19-16(15)21-12-9-10-13-21/h5-13H2,1-4H3.
What are the key properties of 5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-N,N,4-trimethyl-6-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 5276767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).