2,3,4,7,8-pentamethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C12H18N2OS — CID 170364373

IUPAC2,3,4,7,8-pentamethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCc1nc2n(c(=O)c1C)C(C)C(C)C(C)S2
InChIInChI=1S/C12H18N2OS/c1-6-8(3)13-12-14(11(6)15)9(4)7(2)10(5)16-12/h7,9-10H,1-5H3
InChIKeyKXZQOLKUENYOFA-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.55
Rot. Bonds

About 2,3,4,7,8-pentamethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

2,3,4,7,8-pentamethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 170364373) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2,3,4,7,8-pentamethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name2,3,4,7,8-pentamethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID170364373
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2,3,4,7,8-pentamethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCc1nc2n(c(=O)c1C)C(C)C(C)C(C)S2
InChIInChI=1S/C12H18N2OS/c1-6-8(3)13-12-14(11(6)15)9(4)7(2)10(5)16-12/h7,9-10H,1-5H3
InChIKeyKXZQOLKUENYOFA-UHFFFAOYSA-N
XLogP2.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,7,8-pentamethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 2,3,4,7,8-pentamethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 170364373) is 2,3,4,7,8-pentamethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 2,3,4,7,8-pentamethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 2,3,4,7,8-pentamethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is Cc1nc2n(c(=O)c1C)C(C)C(C)C(C)S2.
What is the InChIKey of 2,3,4,7,8-pentamethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is KXZQOLKUENYOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-6-8(3)13-12-14(11(6)15)9(4)7(2)10(5)16-12/h7,9-10H,1-5H3.
What are the key properties of 2,3,4,7,8-pentamethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
2,3,4,7,8-pentamethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 238.36 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,7,8-pentamethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 170364373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).