4-methyl-6-propoxy-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine

C15H26N4O — CID 115975022

IUPAC4-methyl-6-propoxy-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NCCCN2CCCC2)n1
InChIInChI=1S/C15H26N4O/c1-3-11-20-14-12-13(2)17-15(18-14)16-7-6-10-19-8-4-5-9-19/h12H,3-11H2,1-2H3,(H,16,17,18)
InChIKeyGJDFHDIVTRMTLD-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.47
Rot. Bonds8

About 4-methyl-6-propoxy-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine

4-methyl-6-propoxy-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine (PubChem CID 115975022) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-methyl-6-propoxy-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-propoxy-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
PubChem CID115975022
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-methyl-6-propoxy-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NCCCN2CCCC2)n1
InChIInChI=1S/C15H26N4O/c1-3-11-20-14-12-13(2)17-15(18-14)16-7-6-10-19-8-4-5-9-19/h12H,3-11H2,1-2H3,(H,16,17,18)
InChIKeyGJDFHDIVTRMTLD-UHFFFAOYSA-N
XLogP2.47
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.47
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 4-methyl-6-propoxy-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-propoxy-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine (CID 115975022) is 4-methyl-6-propoxy-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-propoxy-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-propoxy-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine is CCCOc1cc(C)nc(NCCCN2CCCC2)n1.
What is the InChIKey of 4-methyl-6-propoxy-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine?
The InChIKey is GJDFHDIVTRMTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-11-20-14-12-13(2)17-15(18-14)16-7-6-10-19-8-4-5-9-19/h12H,3-11H2,1-2H3,(H,16,17,18).
What are the key properties of 4-methyl-6-propoxy-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine?
4-methyl-6-propoxy-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine has a molecular weight of 278.40 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propoxy-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 115975022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).