(3R)-7-cyclohexyl-3,8-dihydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C13H18N2O3S — CID 135956509

IUPAC(3R)-7-cyclohexyl-3,8-dihydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1c(C2CCCCC2)c(O)nc2n1C[C@@H](O)CS2
InChIInChI=1S/C13H18N2O3S/c16-9-6-15-12(18)10(8-4-2-1-3-5-8)11(17)14-13(15)19-7-9/h8-9,16-17H,1-7H2/t9-/m1/s1
InChIKeyMFUHUZKYYXPZCJ-SECBINFHSA-N
MW282.36 g/mol
LogP1.46
Rot. Bonds1

About (3R)-7-cyclohexyl-3,8-dihydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

(3R)-7-cyclohexyl-3,8-dihydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 135956509) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is (3R)-7-cyclohexyl-3,8-dihydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name(3R)-7-cyclohexyl-3,8-dihydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID135956509
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name(3R)-7-cyclohexyl-3,8-dihydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1c(C2CCCCC2)c(O)nc2n1C[C@@H](O)CS2
InChIInChI=1S/C13H18N2O3S/c16-9-6-15-12(18)10(8-4-2-1-3-5-8)11(17)14-13(15)19-7-9/h8-9,16-17H,1-7H2/t9-/m1/s1
InChIKeyMFUHUZKYYXPZCJ-SECBINFHSA-N
XLogP1.46
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-7-cyclohexyl-3,8-dihydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of (3R)-7-cyclohexyl-3,8-dihydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 135956509) is (3R)-7-cyclohexyl-3,8-dihydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for (3R)-7-cyclohexyl-3,8-dihydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for (3R)-7-cyclohexyl-3,8-dihydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is O=c1c(C2CCCCC2)c(O)nc2n1C[C@@H](O)CS2.
What is the InChIKey of (3R)-7-cyclohexyl-3,8-dihydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is MFUHUZKYYXPZCJ-SECBINFHSA-N. The full InChI is InChI=1S/C13H18N2O3S/c16-9-6-15-12(18)10(8-4-2-1-3-5-8)11(17)14-13(15)19-7-9/h8-9,16-17H,1-7H2/t9-/m1/s1.
What are the key properties of (3R)-7-cyclohexyl-3,8-dihydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
(3R)-7-cyclohexyl-3,8-dihydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 282.36 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-cyclohexyl-3,8-dihydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 135956509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).