2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylbutanediamide

C12H19N5O4 — CID 60963488

IUPAC2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylbutanediamide
SMILESCN(Cc1cn(C)c(=O)n(C)c1=O)C(=O)C(N)CC(N)=O
InChIInChI=1S/C12H19N5O4/c1-15(11(20)8(13)4-9(14)18)5-7-6-16(2)12(21)17(3)10(7)19/h6,8H,4-5,13H2,1-3H3,(H2,14,18)
InChIKeyLVNUKIPYFWZGRV-UHFFFAOYSA-N
MW297.32 g/mol
LogP-2.75
Rot. Bonds5

About 2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylbutanediamide

2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylbutanediamide (PubChem CID 60963488) has the molecular formula C12H19N5O4 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylbutanediamide.

Molecular Properties

Compound Name2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylbutanediamide
PubChem CID60963488
Molecular FormulaC12H19N5O4
Molecular Weight297.32 g/mol
Exact Mass297.14
IUPAC Name2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylbutanediamide
SMILESCN(Cc1cn(C)c(=O)n(C)c1=O)C(=O)C(N)CC(N)=O
InChIInChI=1S/C12H19N5O4/c1-15(11(20)8(13)4-9(14)18)5-7-6-16(2)12(21)17(3)10(7)19/h6,8H,4-5,13H2,1-3H3,(H2,14,18)
InChIKeyLVNUKIPYFWZGRV-UHFFFAOYSA-N
XLogP-2.75
TPSA133.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 5-2.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methyl-2-(methylamino)propanamide
CID 62636981
N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpropanamide
CID 64590695
5-chloro-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide
CID 60948566
2-amino-N-[(2-ethoxyphenyl)methyl]-N-methylbutanediamide
CID 60962465
2-amino-N-methyl-N-(pyridin-4-ylmethyl)butanediamide
CID 54928061
N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methyl-4-(methylamino)butanamide
CID 60963240
2-amino-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanediamide
CID 61259468
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide
CID 60937652
2-amino-N-methyl-N-(pyridin-3-ylmethyl)butanediamide
CID 54928060
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanediamide
CID 60938031
methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]propanoate
CID 60780540
2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanediamide
CID 54872226

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylbutanediamide?
The IUPAC name of 2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylbutanediamide (CID 60963488) is 2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylbutanediamide.
What is the SMILES notation for 2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylbutanediamide?
The canonical SMILES for 2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylbutanediamide is CN(Cc1cn(C)c(=O)n(C)c1=O)C(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylbutanediamide?
The InChIKey is LVNUKIPYFWZGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O4/c1-15(11(20)8(13)4-9(14)18)5-7-6-16(2)12(21)17(3)10(7)19/h6,8H,4-5,13H2,1-3H3,(H2,14,18).
What are the key properties of 2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylbutanediamide?
2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylbutanediamide has a molecular weight of 297.32 g/mol, XLogP of -2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylbutanediamide is sourced from PubChem (CID 60963488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).