2-[6-(4-chlorophenyl)-6-methyl-1,3-oxazinan-3-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C22H27ClN4O3S — CID 70265756

IUPAC2-[6-(4-chlorophenyl)-6-methyl-1,3-oxazinan-3-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESCC1(c2ccc(Cl)cc2)CCN(c2nc3c(c(NC4CCOCC4)n2)S(=O)CC3)CO1
InChIInChI=1S/C22H27ClN4O3S/c1-22(15-2-4-16(23)5-3-15)9-10-27(14-30-22)21-25-18-8-13-31(28)19(18)20(26-21)24-17-6-11-29-12-7-17/h2-5,17H,6-14H2,1H3,(H,24,25,26)
InChIKeyAQYLWGFWKBBSTF-UHFFFAOYSA-N
MW463.00 g/mol
LogP3.48
Rot. Bonds4

About 2-[6-(4-chlorophenyl)-6-methyl-1,3-oxazinan-3-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

2-[6-(4-chlorophenyl)-6-methyl-1,3-oxazinan-3-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 70265756) has the molecular formula C22H27ClN4O3S and a molecular weight of 463.00 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)-6-methyl-1,3-oxazinan-3-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)-6-methyl-1,3-oxazinan-3-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID70265756
Molecular FormulaC22H27ClN4O3S
Molecular Weight463.00 g/mol
Exact Mass462.15
IUPAC Name2-[6-(4-chlorophenyl)-6-methyl-1,3-oxazinan-3-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESCC1(c2ccc(Cl)cc2)CCN(c2nc3c(c(NC4CCOCC4)n2)S(=O)CC3)CO1
InChIInChI=1S/C22H27ClN4O3S/c1-22(15-2-4-16(23)5-3-15)9-10-27(14-30-22)21-25-18-8-13-31(28)19(18)20(26-21)24-17-6-11-29-12-7-17/h2-5,17H,6-14H2,1H3,(H,24,25,26)
InChIKeyAQYLWGFWKBBSTF-UHFFFAOYSA-N
XLogP3.48
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.00
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-(4-chlorophenyl)-6-methyl-1,3-oxazinan-3-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)-6-methyl-1,3-oxazinan-3-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-[6-(4-chlorophenyl)-6-methyl-1,3-oxazinan-3-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 70265756) is 2-[6-(4-chlorophenyl)-6-methyl-1,3-oxazinan-3-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[6-(4-chlorophenyl)-6-methyl-1,3-oxazinan-3-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-[6-(4-chlorophenyl)-6-methyl-1,3-oxazinan-3-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is CC1(c2ccc(Cl)cc2)CCN(c2nc3c(c(NC4CCOCC4)n2)S(=O)CC3)CO1.
What is the InChIKey of 2-[6-(4-chlorophenyl)-6-methyl-1,3-oxazinan-3-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is AQYLWGFWKBBSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O3S/c1-22(15-2-4-16(23)5-3-15)9-10-27(14-30-22)21-25-18-8-13-31(28)19(18)20(26-21)24-17-6-11-29-12-7-17/h2-5,17H,6-14H2,1H3,(H,24,25,26).
What are the key properties of 2-[6-(4-chlorophenyl)-6-methyl-1,3-oxazinan-3-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
2-[6-(4-chlorophenyl)-6-methyl-1,3-oxazinan-3-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 463.00 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)-6-methyl-1,3-oxazinan-3-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 70265756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).