N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide

C20H32N6O3S — CID 55816748

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
SMILESCCCCN(C(=O)CN(C)Cc1cnc(C)s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H32N6O3S/c1-6-7-8-25(16(27)12-24(5)11-15-9-22-14(4)30-15)17-18(21)26(10-13(2)3)20(29)23-19(17)28/h9,13H,6-8,10-12,21H2,1-5H3,(H,23,28,29)
InChIKeyVSKZKJPFJPUDLR-UHFFFAOYSA-N
MW436.58 g/mol
LogP1.80
Rot. Bonds10

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide (PubChem CID 55816748) has the molecular formula C20H32N6O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
PubChem CID55816748
Molecular FormulaC20H32N6O3S
Molecular Weight436.58 g/mol
Exact Mass436.23
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
SMILESCCCCN(C(=O)CN(C)Cc1cnc(C)s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H32N6O3S/c1-6-7-8-25(16(27)12-24(5)11-15-9-22-14(4)30-15)17-18(21)26(10-13(2)3)20(29)23-19(17)28/h9,13H,6-8,10-12,21H2,1-5H3,(H,23,28,29)
InChIKeyVSKZKJPFJPUDLR-UHFFFAOYSA-N
XLogP1.80
TPSA117.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 51.80
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-butyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide (CID 55816748) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide is CCCCN(C(=O)CN(C)Cc1cnc(C)s1)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-butyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide?
The InChIKey is VSKZKJPFJPUDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O3S/c1-6-7-8-25(16(27)12-24(5)11-15-9-22-14(4)30-15)17-18(21)26(10-13(2)3)20(29)23-19(17)28/h9,13H,6-8,10-12,21H2,1-5H3,(H,23,28,29).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide has a molecular weight of 436.58 g/mol, XLogP of 1.80, 10 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-butyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide is sourced from PubChem (CID 55816748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).