(3R,7R,8aS)-3-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine

C15H20N4OS — CID 155504791

IUPAC(3R,7R,8aS)-3-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine
SMILESCc1csc2c(N[C@@H]3C[C@H]4CO[C@H](C)CN4C3)ncnc12
InChIInChI=1S/C15H20N4OS/c1-9-7-21-14-13(9)16-8-17-15(14)18-11-3-12-6-20-10(2)4-19(12)5-11/h7-8,10-12H,3-6H2,1-2H3,(H,16,17,18)/t10-,11-,12+/m1/s1
InChIKeyGNDIGVYCTDBLJZ-UTUOFQBUSA-N
MW304.42 g/mol
LogP2.27
Rot. Bonds2

About (3R,7R,8aS)-3-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine

(3R,7R,8aS)-3-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine (PubChem CID 155504791) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is (3R,7R,8aS)-3-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine.

Molecular Properties

Compound Name(3R,7R,8aS)-3-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine
PubChem CID155504791
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name(3R,7R,8aS)-3-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine
SMILESCc1csc2c(N[C@@H]3C[C@H]4CO[C@H](C)CN4C3)ncnc12
InChIInChI=1S/C15H20N4OS/c1-9-7-21-14-13(9)16-8-17-15(14)18-11-3-12-6-20-10(2)4-19(12)5-11/h7-8,10-12H,3-6H2,1-2H3,(H,16,17,18)/t10-,11-,12+/m1/s1
InChIKeyGNDIGVYCTDBLJZ-UTUOFQBUSA-N
XLogP2.27
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,7R,8aS)-3-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,7R,8aS)-3-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine?
The IUPAC name of (3R,7R,8aS)-3-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine (CID 155504791) is (3R,7R,8aS)-3-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine.
What is the SMILES notation for (3R,7R,8aS)-3-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine?
The canonical SMILES for (3R,7R,8aS)-3-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine is Cc1csc2c(N[C@@H]3C[C@H]4CO[C@H](C)CN4C3)ncnc12.
What is the InChIKey of (3R,7R,8aS)-3-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine?
The InChIKey is GNDIGVYCTDBLJZ-UTUOFQBUSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-9-7-21-14-13(9)16-8-17-15(14)18-11-3-12-6-20-10(2)4-19(12)5-11/h7-8,10-12H,3-6H2,1-2H3,(H,16,17,18)/t10-,11-,12+/m1/s1.
What are the key properties of (3R,7R,8aS)-3-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine?
(3R,7R,8aS)-3-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine has a molecular weight of 304.42 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7R,8aS)-3-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine is sourced from PubChem (CID 155504791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).