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

C15H27N5O3 — CID 2110810

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(methylamino)-N-(2-methylpropyl)acetamide
SMILESCNCC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C15H27N5O3/c1-9(2)7-19(11(21)6-17-5)12-13(16)20(8-10(3)4)15(23)18-14(12)22/h9-10,17H,6-8,16H2,1-5H3,(H,18,22,23)
InChIKeyYIGNMNHOCSTEPX-UHFFFAOYSA-N
MW325.41 g/mol
LogP-0.02
Rot. Bonds7

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

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(methylamino)-N-(2-methylpropyl)acetamide (PubChem CID 2110810) has the molecular formula C15H27N5O3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(methylamino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(methylamino)-N-(2-methylpropyl)acetamide
PubChem CID2110810
Molecular FormulaC15H27N5O3
Molecular Weight325.41 g/mol
Exact Mass325.21
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(methylamino)-N-(2-methylpropyl)acetamide
SMILESCNCC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C15H27N5O3/c1-9(2)7-19(11(21)6-17-5)12-13(16)20(8-10(3)4)15(23)18-14(12)22/h9-10,17H,6-8,16H2,1-5H3,(H,18,22,23)
InChIKeyYIGNMNHOCSTEPX-UHFFFAOYSA-N
XLogP-0.02
TPSA113.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(methylamino)-N-(2-methylpropyl)acetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(methylamino)-N-(2-methylpropyl)acetamide (CID 2110810) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(methylamino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(methylamino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(methylamino)-N-(2-methylpropyl)acetamide is CNCC(=O)N(CC(C)C)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]-2-(methylamino)-N-(2-methylpropyl)acetamide?
The InChIKey is YIGNMNHOCSTEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O3/c1-9(2)7-19(11(21)6-17-5)12-13(16)20(8-10(3)4)15(23)18-14(12)22/h9-10,17H,6-8,16H2,1-5H3,(H,18,22,23).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(methylamino)-N-(2-methylpropyl)acetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(methylamino)-N-(2-methylpropyl)acetamide has a molecular weight of 325.41 g/mol, XLogP of -0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(methylamino)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 2110810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).