N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-thiophen-2-ylpyrazin-2-amine

C16H20N4OS — CID 167851301

IUPACN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-thiophen-2-ylpyrazin-2-amine
SMILESc1csc(-c2cncc(NCC3CN4CCCC4CO3)n2)c1
InChIInChI=1S/C16H20N4OS/c1-3-12-11-21-13(10-20(12)5-1)7-18-16-9-17-8-14(19-16)15-4-2-6-22-15/h2,4,6,8-9,12-13H,1,3,5,7,10-11H2,(H,18,19)
InChIKeyBLKJDMLXCLTSCY-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.48
Rot. Bonds4

About N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-thiophen-2-ylpyrazin-2-amine

N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-thiophen-2-ylpyrazin-2-amine (PubChem CID 167851301) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-thiophen-2-ylpyrazin-2-amine.

Molecular Properties

Compound NameN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-thiophen-2-ylpyrazin-2-amine
PubChem CID167851301
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-thiophen-2-ylpyrazin-2-amine
SMILESc1csc(-c2cncc(NCC3CN4CCCC4CO3)n2)c1
InChIInChI=1S/C16H20N4OS/c1-3-12-11-21-13(10-20(12)5-1)7-18-16-9-17-8-14(19-16)15-4-2-6-22-15/h2,4,6,8-9,12-13H,1,3,5,7,10-11H2,(H,18,19)
InChIKeyBLKJDMLXCLTSCY-UHFFFAOYSA-N
XLogP2.48
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-thiophen-2-ylpyrazin-2-amine with MolForge

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Related Compounds

6-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-N-ethylpyridine-2,6-diamine
CID 80851211
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 166203947
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 78986261
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-3-chloropyridine-2-carboxylic acid
CID 79082719
4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-ethylpyrimidine-4,6-diamine
CID 80941593
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-bromopyrimidin-2-amine
CID 78953515
N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-4-(2-chlorophenyl)-1,3-thiazol-2-amine
CID 133451915
2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-methylpyridine-2,5-diamine
CID 79176823
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 80946821
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4,6-dimethylpyrimidin-2-amine
CID 79071229
2-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-ethoxypyridine-2,5-diamine
CID 79079795
3-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)benzene-1,3-diamine
CID 79081974

Frequently Asked Questions

What is the IUPAC name of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-thiophen-2-ylpyrazin-2-amine?
The IUPAC name of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-thiophen-2-ylpyrazin-2-amine (CID 167851301) is N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-thiophen-2-ylpyrazin-2-amine.
What is the SMILES notation for N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-thiophen-2-ylpyrazin-2-amine?
The canonical SMILES for N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-thiophen-2-ylpyrazin-2-amine is c1csc(-c2cncc(NCC3CN4CCCC4CO3)n2)c1.
What is the InChIKey of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-thiophen-2-ylpyrazin-2-amine?
The InChIKey is BLKJDMLXCLTSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-3-12-11-21-13(10-20(12)5-1)7-18-16-9-17-8-14(19-16)15-4-2-6-22-15/h2,4,6,8-9,12-13H,1,3,5,7,10-11H2,(H,18,19).
What are the key properties of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-thiophen-2-ylpyrazin-2-amine?
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-thiophen-2-ylpyrazin-2-amine has a molecular weight of 316.43 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-thiophen-2-ylpyrazin-2-amine is sourced from PubChem (CID 167851301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).