2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C14H25N3O2 — CID 116776158

IUPAC2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCCOC(CC)(CC)c1nc(COC)cc(NC)n1
InChIInChI=1S/C14H25N3O2/c1-6-14(7-2,19-8-3)13-16-11(10-18-5)9-12(15-4)17-13/h9H,6-8,10H2,1-5H3,(H,15,16,17)
InChIKeyLZCLWUSZBGCXRS-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.72
Rot. Bonds8

About 2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 116776158) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID116776158
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCCOC(CC)(CC)c1nc(COC)cc(NC)n1
InChIInChI=1S/C14H25N3O2/c1-6-14(7-2,19-8-3)13-16-11(10-18-5)9-12(15-4)17-13/h9H,6-8,10H2,1-5H3,(H,15,16,17)
InChIKeyLZCLWUSZBGCXRS-UHFFFAOYSA-N
XLogP2.72
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)pyrimidine
CID 116745855
6-(methoxymethyl)-2-(2-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
CID 79198529
2-(3-methoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine
CID 116775773
2-(2-ethoxybutan-2-yl)-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 116777267
2-(2-methoxyethyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 62318766
6-(methoxymethyl)-2-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 65091955
4-chloro-2-(3-ethoxypentan-3-yl)-6-propylpyrimidine
CID 116745694
[6-ethyl-2-(3-methoxypentan-3-yl)pyrimidin-4-yl]hydrazine
CID 116777566
2-(1-ethoxycycloheptyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116776166
2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116729036
6-(methoxymethyl)-N-methyl-2-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 55062684
2-(2,4-dimethylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 62320242

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 116776158) is 2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CCOC(CC)(CC)c1nc(COC)cc(NC)n1.
What is the InChIKey of 2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is LZCLWUSZBGCXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-6-14(7-2,19-8-3)13-16-11(10-18-5)9-12(15-4)17-13/h9H,6-8,10H2,1-5H3,(H,15,16,17).
What are the key properties of 2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 267.37 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 116776158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).