N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

C14H17N5O3S — CID 1409063

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2cc(=O)n(C)c(=O)n2C)n1
InChIInChI=1S/C14H17N5O3S/c1-8-5-9(2)16-13(15-8)23-7-11(20)17-10-6-12(21)19(4)14(22)18(10)3/h5-6H,7H2,1-4H3,(H,17,20)
InChIKeyMPOWXHCAXQDIAJ-UHFFFAOYSA-N
MW335.39 g/mol
LogP0.22
Rot. Bonds4

About N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 1409063) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID1409063
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2cc(=O)n(C)c(=O)n2C)n1
InChIInChI=1S/C14H17N5O3S/c1-8-5-9(2)16-13(15-8)23-7-11(20)17-10-6-12(21)19(4)14(22)18(10)3/h5-6H,7H2,1-4H3,(H,17,20)
InChIKeyMPOWXHCAXQDIAJ-UHFFFAOYSA-N
XLogP0.22
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-ethylpropanamide
CID 6483849
N-(propan-2-ylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2449001
2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetamide
CID 840853
3-[(4,6-dimethyl-2-pyrimidinyl)thio]-N,N-dimethylpropanamide
CID 653464
N-(4,6-dimethylpyrimidin-2-yl)-2-[(4-methyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 663032
6-Amino-5-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 2419546
N-(5-methyl-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
CID 2976289
N-(4,6-dimethylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3589326
2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N,N-diethylacetamide
CID 695459
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 975959
N-cyclopentyl-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
CID 2772852
N-Cyclohexyl-2-(4-methyl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 2979066

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (CID 1409063) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is Cc1cc(C)nc(SCC(=O)Nc2cc(=O)n(C)c(=O)n2C)n1.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is MPOWXHCAXQDIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S/c1-8-5-9(2)16-13(15-8)23-7-11(20)17-10-6-12(21)19(4)14(22)18(10)3/h5-6H,7H2,1-4H3,(H,17,20).
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 335.39 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1409063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).