6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-ethyl-N-propylpyrimidin-4-amine

C16H26N4O — CID 80791082

IUPAC6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCOC3CCCC32)c1CC
InChIInChI=1S/C16H26N4O/c1-3-8-17-15-12(4-2)16(19-11-18-15)20-9-10-21-14-7-5-6-13(14)20/h11,13-14H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyAUHUUIPWLYPLTK-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.62
Rot. Bonds5

About 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-ethyl-N-propylpyrimidin-4-amine

6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-ethyl-N-propylpyrimidin-4-amine (PubChem CID 80791082) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-ethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-ethyl-N-propylpyrimidin-4-amine
PubChem CID80791082
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCOC3CCCC32)c1CC
InChIInChI=1S/C16H26N4O/c1-3-8-17-15-12(4-2)16(19-11-18-15)20-9-10-21-14-7-5-6-13(14)20/h11,13-14H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyAUHUUIPWLYPLTK-UHFFFAOYSA-N
XLogP2.62
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-ethyl-N-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 80811776
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dichloro-N-propylpyridin-2-amine
CID 102757483
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine
CID 80812889
5-ethyl-6-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80797289
5-ethyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80855516
6-(2,3-dimethylpiperidin-1-yl)-5-ethyl-N-propylpyrimidin-4-amine
CID 80822466
6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine
CID 80812642
5-ethyl-6-(2-ethylmorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80786757
1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80785472
6-(2-ethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80797402
6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80792872
6-(2,3-dimethylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80798586

Frequently Asked Questions

What is the IUPAC name of 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-ethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-ethyl-N-propylpyrimidin-4-amine (CID 80791082) is 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-ethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-ethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-ethyl-N-propylpyrimidin-4-amine is CCCNc1ncnc(N2CCOC3CCCC32)c1CC.
What is the InChIKey of 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-ethyl-N-propylpyrimidin-4-amine?
The InChIKey is AUHUUIPWLYPLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-8-17-15-12(4-2)16(19-11-18-15)20-9-10-21-14-7-5-6-13(14)20/h11,13-14H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-ethyl-N-propylpyrimidin-4-amine?
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-ethyl-N-propylpyrimidin-4-amine has a molecular weight of 290.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-ethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80791082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).