N-[3-(4-aminocyclohexyl)oxypropyl]-6-methoxy-2-methylpyrimidin-4-amine

C15H26N4O2 — CID 66331858

IUPACN-[3-(4-aminocyclohexyl)oxypropyl]-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NCCCOC2CCC(N)CC2)nc(C)n1
InChIInChI=1S/C15H26N4O2/c1-11-18-14(10-15(19-11)20-2)17-8-3-9-21-13-6-4-12(16)5-7-13/h10,12-13H,3-9,16H2,1-2H3,(H,17,18,19)
InChIKeyQJUCYJKLAIJKAN-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.88
Rot. Bonds7

About N-[3-(4-aminocyclohexyl)oxypropyl]-6-methoxy-2-methylpyrimidin-4-amine

N-[3-(4-aminocyclohexyl)oxypropyl]-6-methoxy-2-methylpyrimidin-4-amine (PubChem CID 66331858) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[3-(4-aminocyclohexyl)oxypropyl]-6-methoxy-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(4-aminocyclohexyl)oxypropyl]-6-methoxy-2-methylpyrimidin-4-amine
PubChem CID66331858
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-[3-(4-aminocyclohexyl)oxypropyl]-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NCCCOC2CCC(N)CC2)nc(C)n1
InChIInChI=1S/C15H26N4O2/c1-11-18-14(10-15(19-11)20-2)17-8-3-9-21-13-6-4-12(16)5-7-13/h10,12-13H,3-9,16H2,1-2H3,(H,17,18,19)
InChIKeyQJUCYJKLAIJKAN-UHFFFAOYSA-N
XLogP1.88
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-[3-(4-aminocyclohexyl)oxypropyl]-6-methoxy-2-methylpyrimidin-4-amine?
The IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-6-methoxy-2-methylpyrimidin-4-amine (CID 66331858) is N-[3-(4-aminocyclohexyl)oxypropyl]-6-methoxy-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[3-(4-aminocyclohexyl)oxypropyl]-6-methoxy-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[3-(4-aminocyclohexyl)oxypropyl]-6-methoxy-2-methylpyrimidin-4-amine is COc1cc(NCCCOC2CCC(N)CC2)nc(C)n1.
What is the InChIKey of N-[3-(4-aminocyclohexyl)oxypropyl]-6-methoxy-2-methylpyrimidin-4-amine?
The InChIKey is QJUCYJKLAIJKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11-18-14(10-15(19-11)20-2)17-8-3-9-21-13-6-4-12(16)5-7-13/h10,12-13H,3-9,16H2,1-2H3,(H,17,18,19).
What are the key properties of N-[3-(4-aminocyclohexyl)oxypropyl]-6-methoxy-2-methylpyrimidin-4-amine?
N-[3-(4-aminocyclohexyl)oxypropyl]-6-methoxy-2-methylpyrimidin-4-amine has a molecular weight of 294.40 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminocyclohexyl)oxypropyl]-6-methoxy-2-methylpyrimidin-4-amine is sourced from PubChem (CID 66331858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).