N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methylpropanamide

C23H24N6O4S — CID 55512539

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methylpropanamide
SMILESCc1sc2ncn(CCC(=O)N(C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)c(=O)c2c1C
InChIInChI=1S/C23H24N6O4S/c1-13-14(2)34-21-17(13)22(32)28(12-25-21)10-9-16(30)27(3)18-19(24)29(23(33)26-20(18)31)11-15-7-5-4-6-8-15/h4-8,12H,9-11,24H2,1-3H3,(H,26,31,33)
InChIKeyASGYJAQDLXAUON-UHFFFAOYSA-N
MW480.55 g/mol
LogP1.61
Rot. Bonds6

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methylpropanamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methylpropanamide (PubChem CID 55512539) has the molecular formula C23H24N6O4S and a molecular weight of 480.55 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methylpropanamide
PubChem CID55512539
Molecular FormulaC23H24N6O4S
Molecular Weight480.55 g/mol
Exact Mass480.16
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methylpropanamide
SMILESCc1sc2ncn(CCC(=O)N(C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)c(=O)c2c1C
InChIInChI=1S/C23H24N6O4S/c1-13-14(2)34-21-17(13)22(32)28(12-25-21)10-9-16(30)27(3)18-19(24)29(23(33)26-20(18)31)11-15-7-5-4-6-8-15/h4-8,12H,9-11,24H2,1-3H3,(H,26,31,33)
InChIKeyASGYJAQDLXAUON-UHFFFAOYSA-N
XLogP1.61
TPSA136.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide
CID 52895782
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-(2-methylphenoxy)butanamide
CID 55537745
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide
CID 51332816
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide
CID 46513646
N-[3-(4-benzylpiperazin-1-yl)propyl]-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 55634026
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 31116992
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanehydrazide
CID 60713001
3-[benzyl-[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanamide
CID 24565153
3-[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 1093547
(3R)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenylbutanamide
CID 8025303
N-benzyl-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyridin-2-ylacetamide
CID 17471291
N-cyclopropyl-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 18164977

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methylpropanamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methylpropanamide (CID 55512539) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methylpropanamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methylpropanamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methylpropanamide is Cc1sc2ncn(CCC(=O)N(C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)c(=O)c2c1C.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methylpropanamide?
The InChIKey is ASGYJAQDLXAUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4S/c1-13-14(2)34-21-17(13)22(32)28(12-25-21)10-9-16(30)27(3)18-19(24)29(23(33)26-20(18)31)11-15-7-5-4-6-8-15/h4-8,12H,9-11,24H2,1-3H3,(H,26,31,33).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methylpropanamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methylpropanamide has a molecular weight of 480.55 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methylpropanamide is sourced from PubChem (CID 55512539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).