N-decyl-6-ethyl-5-methoxypyrimidin-4-amine

C17H31N3O — CID 22097440

IUPACN-decyl-6-ethyl-5-methoxypyrimidin-4-amine
SMILESCCCCCCCCCCNc1ncnc(CC)c1OC
InChIInChI=1S/C17H31N3O/c1-4-6-7-8-9-10-11-12-13-18-17-16(21-3)15(5-2)19-14-20-17/h14H,4-13H2,1-3H3,(H,18,19,20)
InChIKeyDQAXKDARKAUCNX-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.60
Rot. Bonds12

About N-decyl-6-ethyl-5-methoxypyrimidin-4-amine

N-decyl-6-ethyl-5-methoxypyrimidin-4-amine (PubChem CID 22097440) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-decyl-6-ethyl-5-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-decyl-6-ethyl-5-methoxypyrimidin-4-amine
PubChem CID22097440
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-decyl-6-ethyl-5-methoxypyrimidin-4-amine
SMILESCCCCCCCCCCNc1ncnc(CC)c1OC
InChIInChI=1S/C17H31N3O/c1-4-6-7-8-9-10-11-12-13-18-17-16(21-3)15(5-2)19-14-20-17/h14H,4-13H2,1-3H3,(H,18,19,20)
InChIKeyDQAXKDARKAUCNX-UHFFFAOYSA-N
XLogP4.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.60
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 N-decyl-6-ethyl-5-methoxypyrimidin-4-amine?
The IUPAC name of N-decyl-6-ethyl-5-methoxypyrimidin-4-amine (CID 22097440) is N-decyl-6-ethyl-5-methoxypyrimidin-4-amine.
What is the SMILES notation for N-decyl-6-ethyl-5-methoxypyrimidin-4-amine?
The canonical SMILES for N-decyl-6-ethyl-5-methoxypyrimidin-4-amine is CCCCCCCCCCNc1ncnc(CC)c1OC.
What is the InChIKey of N-decyl-6-ethyl-5-methoxypyrimidin-4-amine?
The InChIKey is DQAXKDARKAUCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-4-6-7-8-9-10-11-12-13-18-17-16(21-3)15(5-2)19-14-20-17/h14H,4-13H2,1-3H3,(H,18,19,20).
What are the key properties of N-decyl-6-ethyl-5-methoxypyrimidin-4-amine?
N-decyl-6-ethyl-5-methoxypyrimidin-4-amine has a molecular weight of 293.45 g/mol, XLogP of 4.60, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-6-ethyl-5-methoxypyrimidin-4-amine is sourced from PubChem (CID 22097440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).