6-amino-1-cyclopropyl-5-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione

C20H19N5O3S — CID 9261805

IUPAC6-amino-1-cyclopropyl-5-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
SMILESCc1cc(-c2ccccc2)nc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)n1
InChIInChI=1S/C20H19N5O3S/c1-11-9-14(12-5-3-2-4-6-12)23-19(22-11)29-10-15(26)16-17(21)25(13-7-8-13)20(28)24-18(16)27/h2-6,9,13H,7-8,10,21H2,1H3,(H,24,27,28)
InChIKeyQUJGZUKIBZDJAE-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.19
Rot. Bonds6

About 6-amino-1-cyclopropyl-5-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione

6-amino-1-cyclopropyl-5-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione (PubChem CID 9261805) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 6-amino-1-cyclopropyl-5-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-cyclopropyl-5-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
PubChem CID9261805
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name6-amino-1-cyclopropyl-5-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
SMILESCc1cc(-c2ccccc2)nc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)n1
InChIInChI=1S/C20H19N5O3S/c1-11-9-14(12-5-3-2-4-6-12)23-19(22-11)29-10-15(26)16-17(21)25(13-7-8-13)20(28)24-18(16)27/h2-6,9,13H,7-8,10,21H2,1H3,(H,24,27,28)
InChIKeyQUJGZUKIBZDJAE-UHFFFAOYSA-N
XLogP2.19
TPSA123.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-cyclopropyl-5-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-cyclopropyl-5-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione (CID 9261805) is 6-amino-1-cyclopropyl-5-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-cyclopropyl-5-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-cyclopropyl-5-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione is Cc1cc(-c2ccccc2)nc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)n1.
What is the InChIKey of 6-amino-1-cyclopropyl-5-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione?
The InChIKey is QUJGZUKIBZDJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-11-9-14(12-5-3-2-4-6-12)23-19(22-11)29-10-15(26)16-17(21)25(13-7-8-13)20(28)24-18(16)27/h2-6,9,13H,7-8,10,21H2,1H3,(H,24,27,28).
What are the key properties of 6-amino-1-cyclopropyl-5-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione?
6-amino-1-cyclopropyl-5-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione has a molecular weight of 409.47 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-cyclopropyl-5-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 9261805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).