N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(2-oxopyrrolidin-1-yl)acetamide

C12H17N5O4 — CID 14721970

IUPACN-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCn1c(N)c(NC(=O)CN2CCCC2=O)c(=O)n(C)c1=O
InChIInChI=1S/C12H17N5O4/c1-15-10(13)9(11(20)16(2)12(15)21)14-7(18)6-17-5-3-4-8(17)19/h3-6,13H2,1-2H3,(H,14,18)
InChIKeyYTVVQNJWIVQTBH-UHFFFAOYSA-N
MW295.30 g/mol
LogP-1.77
Rot. Bonds3

About N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(2-oxopyrrolidin-1-yl)acetamide

N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 14721970) has the molecular formula C12H17N5O4 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID14721970
Molecular FormulaC12H17N5O4
Molecular Weight295.30 g/mol
Exact Mass295.13
IUPAC NameN-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCn1c(N)c(NC(=O)CN2CCCC2=O)c(=O)n(C)c1=O
InChIInChI=1S/C12H17N5O4/c1-15-10(13)9(11(20)16(2)12(15)21)14-7(18)6-17-5-3-4-8(17)19/h3-6,13H2,1-2H3,(H,14,18)
InChIKeyYTVVQNJWIVQTBH-UHFFFAOYSA-N
XLogP-1.77
TPSA119.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-1.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(2-oxopyrrolidin-1-yl)acetamide (CID 14721970) is N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(2-oxopyrrolidin-1-yl)acetamide is Cn1c(N)c(NC(=O)CN2CCCC2=O)c(=O)n(C)c1=O.
What is the InChIKey of N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is YTVVQNJWIVQTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O4/c1-15-10(13)9(11(20)16(2)12(15)21)14-7(18)6-17-5-3-4-8(17)19/h3-6,13H2,1-2H3,(H,14,18).
What are the key properties of N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(2-oxopyrrolidin-1-yl)acetamide?
N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 295.30 g/mol, XLogP of -1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 14721970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).