N-[4-amino-1-methyl-3-[(2R)-2-methylbutyl]-2,6-dioxopyrimidin-5-yl]acetamide

C12H20N4O3 — CID 94065195

IUPACN-[4-amino-1-methyl-3-[(2R)-2-methylbutyl]-2,6-dioxopyrimidin-5-yl]acetamide
SMILESCC[C@@H](C)Cn1c(N)c(NC(C)=O)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O3/c1-5-7(2)6-16-10(13)9(14-8(3)17)11(18)15(4)12(16)19/h7H,5-6,13H2,1-4H3,(H,14,17)/t7-/m1/s1
InChIKeyXLGNGLBYNJSUMR-SSDOTTSWSA-N
MW268.32 g/mol
LogP0.13
Rot. Bonds4

About N-[4-amino-1-methyl-3-[(2R)-2-methylbutyl]-2,6-dioxopyrimidin-5-yl]acetamide

N-[4-amino-1-methyl-3-[(2R)-2-methylbutyl]-2,6-dioxopyrimidin-5-yl]acetamide (PubChem CID 94065195) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[4-amino-1-methyl-3-[(2R)-2-methylbutyl]-2,6-dioxopyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-amino-1-methyl-3-[(2R)-2-methylbutyl]-2,6-dioxopyrimidin-5-yl]acetamide
PubChem CID94065195
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-[4-amino-1-methyl-3-[(2R)-2-methylbutyl]-2,6-dioxopyrimidin-5-yl]acetamide
SMILESCC[C@@H](C)Cn1c(N)c(NC(C)=O)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O3/c1-5-7(2)6-16-10(13)9(14-8(3)17)11(18)15(4)12(16)19/h7H,5-6,13H2,1-4H3,(H,14,17)/t7-/m1/s1
InChIKeyXLGNGLBYNJSUMR-SSDOTTSWSA-N
XLogP0.13
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-amino-1,3-bis(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]acetamide
CID 14326120
6-amino-3-methyl-5-(3-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 61463422
6-amino-5-(2-hydroxypentylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 115622855
6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 60919996
6-amino-5-(2-bromoprop-2-enylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 115594966
6-amino-1-butyl-5-[(3-hydroxy-2-methylpropyl)amino]-3-methylpyrimidine-2,4-dione
CID 61362996
5,6-diamino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 4110339
6-amino-5-(2,2-dimethoxyethylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 107389812
6-amino-5-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 79246336
6-amino-5-[(5-hydroxy-4-methylpentyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 106158493
6-amino-5-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 63239465
6-amino-5-[(1-hydroxy-4-methylpentan-3-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 106350527

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-methyl-3-[(2R)-2-methylbutyl]-2,6-dioxopyrimidin-5-yl]acetamide?
The IUPAC name of N-[4-amino-1-methyl-3-[(2R)-2-methylbutyl]-2,6-dioxopyrimidin-5-yl]acetamide (CID 94065195) is N-[4-amino-1-methyl-3-[(2R)-2-methylbutyl]-2,6-dioxopyrimidin-5-yl]acetamide.
What is the SMILES notation for N-[4-amino-1-methyl-3-[(2R)-2-methylbutyl]-2,6-dioxopyrimidin-5-yl]acetamide?
The canonical SMILES for N-[4-amino-1-methyl-3-[(2R)-2-methylbutyl]-2,6-dioxopyrimidin-5-yl]acetamide is CC[C@@H](C)Cn1c(N)c(NC(C)=O)c(=O)n(C)c1=O.
What is the InChIKey of N-[4-amino-1-methyl-3-[(2R)-2-methylbutyl]-2,6-dioxopyrimidin-5-yl]acetamide?
The InChIKey is XLGNGLBYNJSUMR-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-5-7(2)6-16-10(13)9(14-8(3)17)11(18)15(4)12(16)19/h7H,5-6,13H2,1-4H3,(H,14,17)/t7-/m1/s1.
What are the key properties of N-[4-amino-1-methyl-3-[(2R)-2-methylbutyl]-2,6-dioxopyrimidin-5-yl]acetamide?
N-[4-amino-1-methyl-3-[(2R)-2-methylbutyl]-2,6-dioxopyrimidin-5-yl]acetamide has a molecular weight of 268.32 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1-methyl-3-[(2R)-2-methylbutyl]-2,6-dioxopyrimidin-5-yl]acetamide is sourced from PubChem (CID 94065195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).