6-ethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrimidin-4-amine

C15H26N4O — CID 72927275

IUPAC6-ethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrimidin-4-amine
SMILESCCc1cc(NCCCOC2CCN(C)CC2)ncn1
InChIInChI=1S/C15H26N4O/c1-3-13-11-15(18-12-17-13)16-7-4-10-20-14-5-8-19(2)9-6-14/h11-12,14H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyRUGDUZWVLSYMES-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.95
Rot. Bonds7

About 6-ethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrimidin-4-amine

6-ethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrimidin-4-amine (PubChem CID 72927275) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 6-ethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrimidin-4-amine
PubChem CID72927275
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name6-ethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrimidin-4-amine
SMILESCCc1cc(NCCCOC2CCN(C)CC2)ncn1
InChIInChI=1S/C15H26N4O/c1-3-13-11-15(18-12-17-13)16-7-4-10-20-14-5-8-19(2)9-6-14/h11-12,14H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyRUGDUZWVLSYMES-UHFFFAOYSA-N
XLogP1.95
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-ethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrimidin-4-amine (CID 72927275) is 6-ethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrimidin-4-amine is CCc1cc(NCCCOC2CCN(C)CC2)ncn1.
What is the InChIKey of 6-ethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrimidin-4-amine?
The InChIKey is RUGDUZWVLSYMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-13-11-15(18-12-17-13)16-7-4-10-20-14-5-8-19(2)9-6-14/h11-12,14H,3-10H2,1-2H3,(H,16,17,18).
What are the key properties of 6-ethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrimidin-4-amine?
6-ethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrimidin-4-amine has a molecular weight of 278.40 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]pyrimidin-4-amine is sourced from PubChem (CID 72927275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).