7-methyl-9-[(7-methyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)sulfanyl]-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-6,8-dione

C16H20N6O4S — CID 10668231

IUPAC7-methyl-9-[(7-methyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)sulfanyl]-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-6,8-dione
SMILESCn1c(=O)c(Sc2c3n(c(=O)n(C)c2=O)CCCN3)c2n(c1=O)CCCN2
InChIInChI=1S/C16H20N6O4S/c1-19-13(23)9(11-17-5-3-7-21(11)15(19)25)27-10-12-18-6-4-8-22(12)16(26)20(2)14(10)24/h17-18H,3-8H2,1-2H3
InChIKeyKRKNAZUHPVVKJD-UHFFFAOYSA-N
MW392.44 g/mol
LogP-0.81
Rot. Bonds2

About 7-methyl-9-[(7-methyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)sulfanyl]-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-6,8-dione

7-methyl-9-[(7-methyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)sulfanyl]-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-6,8-dione (PubChem CID 10668231) has the molecular formula C16H20N6O4S and a molecular weight of 392.44 g/mol. Its IUPAC name is 7-methyl-9-[(7-methyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)sulfanyl]-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-6,8-dione.

Molecular Properties

Compound Name7-methyl-9-[(7-methyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)sulfanyl]-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-6,8-dione
PubChem CID10668231
Molecular FormulaC16H20N6O4S
Molecular Weight392.44 g/mol
Exact Mass392.13
IUPAC Name7-methyl-9-[(7-methyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)sulfanyl]-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-6,8-dione
SMILESCn1c(=O)c(Sc2c3n(c(=O)n(C)c2=O)CCCN3)c2n(c1=O)CCCN2
InChIInChI=1S/C16H20N6O4S/c1-19-13(23)9(11-17-5-3-7-21(11)15(19)25)27-10-12-18-6-4-8-22(12)16(26)20(2)14(10)24/h17-18H,3-8H2,1-2H3
InChIKeyKRKNAZUHPVVKJD-UHFFFAOYSA-N
XLogP-0.81
TPSA112.06 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.44
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 7-methyl-9-[(7-methyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)sulfanyl]-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-6,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-9-[(7-methyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)sulfanyl]-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-6,8-dione?
The IUPAC name of 7-methyl-9-[(7-methyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)sulfanyl]-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-6,8-dione (CID 10668231) is 7-methyl-9-[(7-methyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)sulfanyl]-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-6,8-dione.
What is the SMILES notation for 7-methyl-9-[(7-methyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)sulfanyl]-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-6,8-dione?
The canonical SMILES for 7-methyl-9-[(7-methyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)sulfanyl]-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-6,8-dione is Cn1c(=O)c(Sc2c3n(c(=O)n(C)c2=O)CCCN3)c2n(c1=O)CCCN2.
What is the InChIKey of 7-methyl-9-[(7-methyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)sulfanyl]-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-6,8-dione?
The InChIKey is KRKNAZUHPVVKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O4S/c1-19-13(23)9(11-17-5-3-7-21(11)15(19)25)27-10-12-18-6-4-8-22(12)16(26)20(2)14(10)24/h17-18H,3-8H2,1-2H3.
What are the key properties of 7-methyl-9-[(7-methyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)sulfanyl]-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-6,8-dione?
7-methyl-9-[(7-methyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)sulfanyl]-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-6,8-dione has a molecular weight of 392.44 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-9-[(7-methyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)sulfanyl]-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-6,8-dione is sourced from PubChem (CID 10668231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).