N-decyl-4,6-dimethoxypyrimidin-2-amine

C16H29N3O2 — CID 115355214

IUPACN-decyl-4,6-dimethoxypyrimidin-2-amine
SMILESCCCCCCCCCCNc1nc(OC)cc(OC)n1
InChIInChI=1S/C16H29N3O2/c1-4-5-6-7-8-9-10-11-12-17-16-18-14(20-2)13-15(19-16)21-3/h13H,4-12H2,1-3H3,(H,17,18,19)
InChIKeyZFEUZGVEJXOMIU-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.05
Rot. Bonds12

About N-decyl-4,6-dimethoxypyrimidin-2-amine

N-decyl-4,6-dimethoxypyrimidin-2-amine (PubChem CID 115355214) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-decyl-4,6-dimethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-decyl-4,6-dimethoxypyrimidin-2-amine
PubChem CID115355214
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-decyl-4,6-dimethoxypyrimidin-2-amine
SMILESCCCCCCCCCCNc1nc(OC)cc(OC)n1
InChIInChI=1S/C16H29N3O2/c1-4-5-6-7-8-9-10-11-12-17-16-18-14(20-2)13-15(19-16)21-3/h13H,4-12H2,1-3H3,(H,17,18,19)
InChIKeyZFEUZGVEJXOMIU-UHFFFAOYSA-N
XLogP4.05
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.05
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 N-decyl-4,6-dimethoxypyrimidin-2-amine?
The IUPAC name of N-decyl-4,6-dimethoxypyrimidin-2-amine (CID 115355214) is N-decyl-4,6-dimethoxypyrimidin-2-amine.
What is the SMILES notation for N-decyl-4,6-dimethoxypyrimidin-2-amine?
The canonical SMILES for N-decyl-4,6-dimethoxypyrimidin-2-amine is CCCCCCCCCCNc1nc(OC)cc(OC)n1.
What is the InChIKey of N-decyl-4,6-dimethoxypyrimidin-2-amine?
The InChIKey is ZFEUZGVEJXOMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-4-5-6-7-8-9-10-11-12-17-16-18-14(20-2)13-15(19-16)21-3/h13H,4-12H2,1-3H3,(H,17,18,19).
What are the key properties of N-decyl-4,6-dimethoxypyrimidin-2-amine?
N-decyl-4,6-dimethoxypyrimidin-2-amine has a molecular weight of 295.43 g/mol, XLogP of 4.05, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-4,6-dimethoxypyrimidin-2-amine is sourced from PubChem (CID 115355214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).