6-amino-3-methyl-1-(2-methylpropyl)-5-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrimidine-2,4-dione

C17H19N5O3S2 — CID 3959348

IUPAC6-amino-3-methyl-1-(2-methylpropyl)-5-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(C(=O)CSc2ncnc3sccc23)c(=O)n(C)c1=O
InChIInChI=1S/C17H19N5O3S2/c1-9(2)6-22-13(18)12(16(24)21(3)17(22)25)11(23)7-27-15-10-4-5-26-14(10)19-8-20-15/h4-5,8-9H,6-7,18H2,1-3H3
InChIKeyXQVBIHDECDXPIU-UHFFFAOYSA-N
MW405.51 g/mol
LogP1.76
Rot. Bonds6

About 6-amino-3-methyl-1-(2-methylpropyl)-5-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrimidine-2,4-dione

6-amino-3-methyl-1-(2-methylpropyl)-5-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrimidine-2,4-dione (PubChem CID 3959348) has the molecular formula C17H19N5O3S2 and a molecular weight of 405.51 g/mol. Its IUPAC name is 6-amino-3-methyl-1-(2-methylpropyl)-5-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-1-(2-methylpropyl)-5-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrimidine-2,4-dione
PubChem CID3959348
Molecular FormulaC17H19N5O3S2
Molecular Weight405.51 g/mol
Exact Mass405.09
IUPAC Name6-amino-3-methyl-1-(2-methylpropyl)-5-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(C(=O)CSc2ncnc3sccc23)c(=O)n(C)c1=O
InChIInChI=1S/C17H19N5O3S2/c1-9(2)6-22-13(18)12(16(24)21(3)17(22)25)11(23)7-27-15-10-4-5-26-14(10)19-8-20-15/h4-5,8-9H,6-7,18H2,1-3H3
InChIKeyXQVBIHDECDXPIU-UHFFFAOYSA-N
XLogP1.76
TPSA112.87 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

6-amino-3-methyl-1-(2-methylpropyl)-5-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 2092522
6-amino-3-methyl-1-propyl-5-(2-quinazolin-4-ylsulfanylacetyl)pyrimidine-2,4-dione
CID 9324737
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-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 4815431
6-amino-5-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 3947933
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 4819871
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-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 2569373
3-methyl-N-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)phenyl]butanamide
CID 7889277
6-amino-5-[2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 4823617
2-methyl-3-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanoic acid
CID 64914745
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 4804920

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1-(2-methylpropyl)-5-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-1-(2-methylpropyl)-5-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrimidine-2,4-dione (CID 3959348) is 6-amino-3-methyl-1-(2-methylpropyl)-5-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-1-(2-methylpropyl)-5-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-1-(2-methylpropyl)-5-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrimidine-2,4-dione is CC(C)Cn1c(N)c(C(=O)CSc2ncnc3sccc23)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-1-(2-methylpropyl)-5-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrimidine-2,4-dione?
The InChIKey is XQVBIHDECDXPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S2/c1-9(2)6-22-13(18)12(16(24)21(3)17(22)25)11(23)7-27-15-10-4-5-26-14(10)19-8-20-15/h4-5,8-9H,6-7,18H2,1-3H3.
What are the key properties of 6-amino-3-methyl-1-(2-methylpropyl)-5-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrimidine-2,4-dione?
6-amino-3-methyl-1-(2-methylpropyl)-5-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrimidine-2,4-dione has a molecular weight of 405.51 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-1-(2-methylpropyl)-5-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrimidine-2,4-dione is sourced from PubChem (CID 3959348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).