2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine

C15H26FN3O — CID 116729248

IUPAC2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(OCC)C(C)(C)C)nc(C)c1F
InChIInChI=1S/C15H26FN3O/c1-7-9-17-13-11(16)10(3)18-14(19-13)12(20-8-2)15(4,5)6/h12H,7-9H2,1-6H3,(H,17,18,19)
InChIKeyJXWIYMJLOFEXCQ-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.87
Rot. Bonds6

About 2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine

2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 116729248) has the molecular formula C15H26FN3O and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
PubChem CID116729248
Molecular FormulaC15H26FN3O
Molecular Weight283.39 g/mol
Exact Mass283.21
IUPAC Name2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(OCC)C(C)(C)C)nc(C)c1F
InChIInChI=1S/C15H26FN3O/c1-7-9-17-13-11(16)10(3)18-14(19-13)12(20-8-2)15(4,5)6/h12H,7-9H2,1-6H3,(H,17,18,19)
InChIKeyJXWIYMJLOFEXCQ-UHFFFAOYSA-N
XLogP3.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-6-methyl-2-(4-methylpentan-2-yl)-N-propylpyrimidin-4-amine
CID 114201160
3-[2-(1-ethoxy-2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 116731611
2-(1-ethoxypropyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 116729367
5-bromo-2-(1-ethoxypropyl)-6-methyl-N-propylpyrimidin-4-amine
CID 116729325
2-(1-ethoxycyclohexyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 116776442
5-iodo-2-(1-methoxy-2,2-dimethylpropyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 116729693
5-bromo-6-ethyl-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
CID 116729574
4,6-dibromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidine
CID 116706766
2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 116728558
2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 116730068
2-[(3,5-difluorophenyl)methyl]-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 66000005
4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 104830615

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine (CID 116729248) is 2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(C(OCC)C(C)(C)C)nc(C)c1F.
What is the InChIKey of 2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is JXWIYMJLOFEXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN3O/c1-7-9-17-13-11(16)10(3)18-14(19-13)12(20-8-2)15(4,5)6/h12H,7-9H2,1-6H3,(H,17,18,19).
What are the key properties of 2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine?
2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 283.39 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116729248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).