4-ethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-2-amine

C15H26N4O — CID 115974404

IUPAC4-ethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCCCN2CCCCC2C)n1
InChIInChI=1S/C15H26N4O/c1-3-20-14-8-10-17-15(18-14)16-9-6-12-19-11-5-4-7-13(19)2/h8,10,13H,3-7,9,11-12H2,1-2H3,(H,16,17,18)
InChIKeyQDBYSJLRSOTUPN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.55
Rot. Bonds7

About 4-ethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-2-amine

4-ethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-2-amine (PubChem CID 115974404) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-ethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-2-amine
PubChem CID115974404
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-ethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCCCN2CCCCC2C)n1
InChIInChI=1S/C15H26N4O/c1-3-20-14-8-10-17-15(18-14)16-9-6-12-19-11-5-4-7-13(19)2/h8,10,13H,3-7,9,11-12H2,1-2H3,(H,16,17,18)
InChIKeyQDBYSJLRSOTUPN-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
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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Related Compounds

4-N,4-N-dimethyl-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine
CID 133383415
2-[3-(2-methylpiperidin-1-yl)propylamino]pyrimidine-4-carboxylic acid
CID 107553233
4-N-(3-methylbutyl)-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine
CID 154463494
N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine
CID 112637065
6-ethoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine
CID 43261070
4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
CID 112637316
N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine
CID 112636877
4-ethoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine
CID 125447537
5,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-triazin-3-amine
CID 114448150
4-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-2-amine
CID 112637806
N-[3-(4-aminocyclohexyl)oxypropyl]-4-ethoxypyrimidin-2-amine
CID 115975401
2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid
CID 43176732

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-2-amine (CID 115974404) is 4-ethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-2-amine is CCOc1ccnc(NCCCN2CCCCC2C)n1.
What is the InChIKey of 4-ethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-2-amine?
The InChIKey is QDBYSJLRSOTUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-20-14-8-10-17-15(18-14)16-9-6-12-19-11-5-4-7-13(19)2/h8,10,13H,3-7,9,11-12H2,1-2H3,(H,16,17,18).
What are the key properties of 4-ethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-2-amine?
4-ethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-2-amine has a molecular weight of 278.40 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 115974404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).