6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine

C15H24N4O — CID 80812642

IUPAC6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCOC3CCCCC32)ncn1
InChIInChI=1S/C15H24N4O/c1-2-7-16-14-10-15(18-11-17-14)19-8-9-20-13-6-4-3-5-12(13)19/h10-13H,2-9H2,1H3,(H,16,17,18)
InChIKeySFCREBVLUGPMFH-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.45
Rot. Bonds4

About 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine

6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine (PubChem CID 80812642) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine
PubChem CID80812642
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCOC3CCCCC32)ncn1
InChIInChI=1S/C15H24N4O/c1-2-7-16-14-10-15(18-11-17-14)19-8-9-20-13-6-4-3-5-12(13)19/h10-13H,2-9H2,1H3,(H,16,17,18)
InChIKeySFCREBVLUGPMFH-UHFFFAOYSA-N
XLogP2.45
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine (CID 80812642) is 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine is CCCNc1cc(N2CCOC3CCCCC32)ncn1.
What is the InChIKey of 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine?
The InChIKey is SFCREBVLUGPMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-7-16-14-10-15(18-11-17-14)19-8-9-20-13-6-4-3-5-12(13)19/h10-13H,2-9H2,1H3,(H,16,17,18).
What are the key properties of 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine?
6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine has a molecular weight of 276.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80812642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).