4-propan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-2-amine

C15H26N4 — CID 72868392

IUPAC4-propan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-2-amine
SMILESCC(C)c1ccnc(NCCCCN2CCCC2)n1
InChIInChI=1S/C15H26N4/c1-13(2)14-7-9-17-15(18-14)16-8-3-4-10-19-11-5-6-12-19/h7,9,13H,3-6,8,10-12H2,1-2H3,(H,16,17,18)
InChIKeyOKUHWXUQFGLOCY-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.89
Rot. Bonds7

About 4-propan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-2-amine

4-propan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-2-amine (PubChem CID 72868392) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-propan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-2-amine
PubChem CID72868392
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-propan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-2-amine
SMILESCC(C)c1ccnc(NCCCCN2CCCC2)n1
InChIInChI=1S/C15H26N4/c1-13(2)14-7-9-17-15(18-14)16-8-3-4-10-19-11-5-6-12-19/h7,9,13H,3-6,8,10-12H2,1-2H3,(H,16,17,18)
InChIKeyOKUHWXUQFGLOCY-UHFFFAOYSA-N
XLogP2.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
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 4-propan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-2-amine?
The IUPAC name of 4-propan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-2-amine (CID 72868392) is 4-propan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-2-amine.
What is the SMILES notation for 4-propan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-2-amine?
The canonical SMILES for 4-propan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-2-amine is CC(C)c1ccnc(NCCCCN2CCCC2)n1.
What is the InChIKey of 4-propan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-2-amine?
The InChIKey is OKUHWXUQFGLOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-13(2)14-7-9-17-15(18-14)16-8-3-4-10-19-11-5-6-12-19/h7,9,13H,3-6,8,10-12H2,1-2H3,(H,16,17,18).
What are the key properties of 4-propan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-2-amine?
4-propan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-2-amine is sourced from PubChem (CID 72868392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).