2-(3-ethoxypentan-3-yl)-N,5-diethyl-6-methylpyrimidin-4-amine

C16H29N3O — CID 116775839

IUPAC2-(3-ethoxypentan-3-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
SMILESCCNc1nc(C(CC)(CC)OCC)nc(C)c1CC
InChIInChI=1S/C16H29N3O/c1-7-13-12(6)18-15(19-14(13)17-10-4)16(8-2,9-3)20-11-5/h7-11H2,1-6H3,(H,17,18,19)
InChIKeyWSINOIXYTABZSV-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.83
Rot. Bonds8

About 2-(3-ethoxypentan-3-yl)-N,5-diethyl-6-methylpyrimidin-4-amine

2-(3-ethoxypentan-3-yl)-N,5-diethyl-6-methylpyrimidin-4-amine (PubChem CID 116775839) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-(3-ethoxypentan-3-yl)-N,5-diethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-ethoxypentan-3-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
PubChem CID116775839
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-(3-ethoxypentan-3-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
SMILESCCNc1nc(C(CC)(CC)OCC)nc(C)c1CC
InChIInChI=1S/C16H29N3O/c1-7-13-12(6)18-15(19-14(13)17-10-4)16(8-2,9-3)20-11-5/h7-11H2,1-6H3,(H,17,18,19)
InChIKeyWSINOIXYTABZSV-UHFFFAOYSA-N
XLogP3.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(3-ethoxypentan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine
CID 116776495
2-(2-ethoxypropan-2-yl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
CID 116728793
2-[2-(3-ethoxypentan-3-yl)-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
CID 116779353
5-bromo-2-(3-ethoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine
CID 116776475
2-(3-ethoxypentan-3-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 116776545
5-ethyl-2-(2-methoxypropan-2-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 79197133
4-chloro-2-(3-ethoxypentan-3-yl)-5-iodo-6-methylpyrimidine
CID 116746099
N,5-diethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 62191430
N,5-diethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79964245
N,5-diethyl-6-methyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 62191964
5-bromo-2-(2-ethoxypropan-2-yl)-N,6-dimethylpyrimidin-4-amine
CID 116729311
5-bromo-2-(2-ethoxybutan-2-yl)-N,6-diethylpyrimidin-4-amine
CID 116776781

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypentan-3-yl)-N,5-diethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(3-ethoxypentan-3-yl)-N,5-diethyl-6-methylpyrimidin-4-amine (CID 116775839) is 2-(3-ethoxypentan-3-yl)-N,5-diethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-ethoxypentan-3-yl)-N,5-diethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3-ethoxypentan-3-yl)-N,5-diethyl-6-methylpyrimidin-4-amine is CCNc1nc(C(CC)(CC)OCC)nc(C)c1CC.
What is the InChIKey of 2-(3-ethoxypentan-3-yl)-N,5-diethyl-6-methylpyrimidin-4-amine?
The InChIKey is WSINOIXYTABZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-7-13-12(6)18-15(19-14(13)17-10-4)16(8-2,9-3)20-11-5/h7-11H2,1-6H3,(H,17,18,19).
What are the key properties of 2-(3-ethoxypentan-3-yl)-N,5-diethyl-6-methylpyrimidin-4-amine?
2-(3-ethoxypentan-3-yl)-N,5-diethyl-6-methylpyrimidin-4-amine has a molecular weight of 279.43 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypentan-3-yl)-N,5-diethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 116775839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).