6-amino-1,3-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione

C16H17N5O3S — CID 3922487

IUPAC6-amino-1,3-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CSc2nc3ccccc3n2C)c(=O)n(C)c1=O
InChIInChI=1S/C16H17N5O3S/c1-19-10-7-5-4-6-9(10)18-15(19)25-8-11(22)12-13(17)20(2)16(24)21(3)14(12)23/h4-7H,8,17H2,1-3H3
InChIKeyRZSNTAAQMVTVRZ-UHFFFAOYSA-N
MW359.41 g/mol
LogP0.53
Rot. Bonds4

About 6-amino-1,3-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione

6-amino-1,3-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione (PubChem CID 3922487) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
PubChem CID3922487
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC Name6-amino-1,3-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CSc2nc3ccccc3n2C)c(=O)n(C)c1=O
InChIInChI=1S/C16H17N5O3S/c1-19-10-7-5-4-6-9(10)18-15(19)25-8-11(22)12-13(17)20(2)16(24)21(3)14(12)23/h4-7H,8,17H2,1-3H3
InChIKeyRZSNTAAQMVTVRZ-UHFFFAOYSA-N
XLogP0.53
TPSA104.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-amino-1,3-dimethyl-5-[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]pyrimidine-2,4-dione
CID 2612889
6-amino-3-methyl-5-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 4304150
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 4804920
6-amino-5-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 6409357
6-amino-1,3-dimethyl-5-[2-(1-phenylbenzimidazol-2-yl)sulfanylpropanoyl]pyrimidine-2,4-dione
CID 42973447
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone
CID 13157327
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(4-nitrophenyl)ethanone
CID 3414962
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 16535636
6-amino-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 16534778
6-amino-1,3-dimethyl-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 17469430
5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydrobenzimidazol-2-one
CID 40829649
N-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 21226926

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione (CID 3922487) is 6-amino-1,3-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione is Cn1c(N)c(C(=O)CSc2nc3ccccc3n2C)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1,3-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione?
The InChIKey is RZSNTAAQMVTVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c1-19-10-7-5-4-6-9(10)18-15(19)25-8-11(22)12-13(17)20(2)16(24)21(3)14(12)23/h4-7H,8,17H2,1-3H3.
What are the key properties of 6-amino-1,3-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione?
6-amino-1,3-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione has a molecular weight of 359.41 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 3922487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).