2-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrimidin-5-yl]ethanamine

C13H20N4O — CID 113388520

IUPAC2-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrimidin-5-yl]ethanamine
SMILESNCCc1cnc(N2CCOC3CCCC32)nc1
InChIInChI=1S/C13H20N4O/c14-5-4-10-8-15-13(16-9-10)17-6-7-18-12-3-1-2-11(12)17/h8-9,11-12H,1-7,14H2
InChIKeyBCTNVVMCULUKDW-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.74
Rot. Bonds3

About 2-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrimidin-5-yl]ethanamine

2-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrimidin-5-yl]ethanamine (PubChem CID 113388520) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrimidin-5-yl]ethanamine
PubChem CID113388520
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrimidin-5-yl]ethanamine
SMILESNCCc1cnc(N2CCOC3CCCC32)nc1
InChIInChI=1S/C13H20N4O/c14-5-4-10-8-15-13(16-9-10)17-6-7-18-12-3-1-2-11(12)17/h8-9,11-12H,1-7,14H2
InChIKeyBCTNVVMCULUKDW-UHFFFAOYSA-N
XLogP0.74
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrimidin-5-yl]ethanamine with MolForge

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Related Compounds

4-[5-(bromomethyl)pyrimidin-2-yl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 107082323
2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-pyridinyl]ethanamine
CID 80634674
(4aR,8aR)-4-pyrimidin-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 98775699
1-[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]propan-2-amine
CID 80634441
2-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-bromophenyl]ethanamine
CID 55236391
[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methylpyrimidin-4-yl]methanamine
CID 107541866
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)pyrazin-2-amine
CID 80653626
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-bromopyrimidin-2-amine
CID 80811772
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrimidine-4-carboxylic acid
CID 107553724
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1H-pyrazol-5-amine
CID 114998479
N-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62289596
2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63786542

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrimidin-5-yl]ethanamine (CID 113388520) is 2-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrimidin-5-yl]ethanamine is NCCc1cnc(N2CCOC3CCCC32)nc1.
What is the InChIKey of 2-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrimidin-5-yl]ethanamine?
The InChIKey is BCTNVVMCULUKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-5-4-10-8-15-13(16-9-10)17-6-7-18-12-3-1-2-11(12)17/h8-9,11-12H,1-7,14H2.
What are the key properties of 2-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrimidin-5-yl]ethanamine?
2-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrimidin-5-yl]ethanamine has a molecular weight of 248.33 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 113388520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).