1,1-dioxo-9-phenyl-7-propyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazine-6,8-dione

C16H18N2O4S — CID 15027600

IUPAC1,1-dioxo-9-phenyl-7-propyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazine-6,8-dione
SMILESCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2(=O)=O
InChIInChI=1S/C16H18N2O4S/c1-2-9-17-14(19)13(12-7-4-3-5-8-12)15-18(16(17)20)10-6-11-23(15,21)22/h3-5,7-8H,2,6,9-11H2,1H3
InChIKeyYPRKJODNDNTGIK-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.26
Rot. Bonds3

About 1,1-dioxo-9-phenyl-7-propyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazine-6,8-dione

1,1-dioxo-9-phenyl-7-propyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazine-6,8-dione (PubChem CID 15027600) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 1,1-dioxo-9-phenyl-7-propyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazine-6,8-dione.

Molecular Properties

Compound Name1,1-dioxo-9-phenyl-7-propyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazine-6,8-dione
PubChem CID15027600
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name1,1-dioxo-9-phenyl-7-propyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazine-6,8-dione
SMILESCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2(=O)=O
InChIInChI=1S/C16H18N2O4S/c1-2-9-17-14(19)13(12-7-4-3-5-8-12)15-18(16(17)20)10-6-11-23(15,21)22/h3-5,7-8H,2,6,9-11H2,1H3
InChIKeyYPRKJODNDNTGIK-UHFFFAOYSA-N
XLogP1.26
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-9-phenyl-7-propyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazine-6,8-dione?
The IUPAC name of 1,1-dioxo-9-phenyl-7-propyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazine-6,8-dione (CID 15027600) is 1,1-dioxo-9-phenyl-7-propyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazine-6,8-dione.
What is the SMILES notation for 1,1-dioxo-9-phenyl-7-propyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazine-6,8-dione?
The canonical SMILES for 1,1-dioxo-9-phenyl-7-propyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazine-6,8-dione is CCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2(=O)=O.
What is the InChIKey of 1,1-dioxo-9-phenyl-7-propyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazine-6,8-dione?
The InChIKey is YPRKJODNDNTGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-2-9-17-14(19)13(12-7-4-3-5-8-12)15-18(16(17)20)10-6-11-23(15,21)22/h3-5,7-8H,2,6,9-11H2,1H3.
What are the key properties of 1,1-dioxo-9-phenyl-7-propyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazine-6,8-dione?
1,1-dioxo-9-phenyl-7-propyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazine-6,8-dione has a molecular weight of 334.40 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-9-phenyl-7-propyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazine-6,8-dione is sourced from PubChem (CID 15027600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).