N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide

C19H34N6O5S — CID 26568125

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCC(C)CN(C(=O)CN1CCN(S(C)(=O)=O)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H34N6O5S/c1-13(2)10-24(15(26)12-22-6-8-23(9-7-22)31(5,29)30)16-17(20)25(11-14(3)4)19(28)21-18(16)27/h13-14H,6-12,20H2,1-5H3,(H,21,27,28)
InChIKeyDXLYJOQRBQCGDS-UHFFFAOYSA-N
MW458.59 g/mol
LogP-0.66
Rot. Bonds8

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide (PubChem CID 26568125) has the molecular formula C19H34N6O5S and a molecular weight of 458.59 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
PubChem CID26568125
Molecular FormulaC19H34N6O5S
Molecular Weight458.59 g/mol
Exact Mass458.23
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCC(C)CN(C(=O)CN1CCN(S(C)(=O)=O)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H34N6O5S/c1-13(2)10-24(15(26)12-22-6-8-23(9-7-22)31(5,29)30)16-17(20)25(11-14(3)4)19(28)21-18(16)27/h13-14H,6-12,20H2,1-5H3,(H,21,27,28)
InChIKeyDXLYJOQRBQCGDS-UHFFFAOYSA-N
XLogP-0.66
TPSA141.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.59
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide (CID 26568125) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide is CC(C)CN(C(=O)CN1CCN(S(C)(=O)=O)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is DXLYJOQRBQCGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O5S/c1-13(2)10-24(15(26)12-22-6-8-23(9-7-22)31(5,29)30)16-17(20)25(11-14(3)4)19(28)21-18(16)27/h13-14H,6-12,20H2,1-5H3,(H,21,27,28).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 458.59 g/mol, XLogP of -0.66, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 26568125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).