N-(2,4-diamino-1-methyl-6-oxopyrimidin-5-yl)-2-(diethylamino)acetamide

C11H20N6O2 — CID 91824310

IUPACN-(2,4-diamino-1-methyl-6-oxopyrimidin-5-yl)-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1c(N)nc(N)n(C)c1=O
InChIInChI=1S/C11H20N6O2/c1-4-17(5-2)6-7(18)14-8-9(12)15-11(13)16(3)10(8)19/h4-6,12H2,1-3H3,(H2,13,15)(H,14,18)
InChIKeyPRSKROJSLSYNRP-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.77
Rot. Bonds5

About N-(2,4-diamino-1-methyl-6-oxopyrimidin-5-yl)-2-(diethylamino)acetamide

N-(2,4-diamino-1-methyl-6-oxopyrimidin-5-yl)-2-(diethylamino)acetamide (PubChem CID 91824310) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(2,4-diamino-1-methyl-6-oxopyrimidin-5-yl)-2-(diethylamino)acetamide.

Molecular Properties

Compound NameN-(2,4-diamino-1-methyl-6-oxopyrimidin-5-yl)-2-(diethylamino)acetamide
PubChem CID91824310
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC NameN-(2,4-diamino-1-methyl-6-oxopyrimidin-5-yl)-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1c(N)nc(N)n(C)c1=O
InChIInChI=1S/C11H20N6O2/c1-4-17(5-2)6-7(18)14-8-9(12)15-11(13)16(3)10(8)19/h4-6,12H2,1-3H3,(H2,13,15)(H,14,18)
InChIKeyPRSKROJSLSYNRP-UHFFFAOYSA-N
XLogP-0.77
TPSA119.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(2,4-diamino-1-methyl-6-oxopyrimidin-5-yl)-2-(diethylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diamino-1-methyl-6-oxopyrimidin-5-yl)-2-(diethylamino)acetamide?
The IUPAC name of N-(2,4-diamino-1-methyl-6-oxopyrimidin-5-yl)-2-(diethylamino)acetamide (CID 91824310) is N-(2,4-diamino-1-methyl-6-oxopyrimidin-5-yl)-2-(diethylamino)acetamide.
What is the SMILES notation for N-(2,4-diamino-1-methyl-6-oxopyrimidin-5-yl)-2-(diethylamino)acetamide?
The canonical SMILES for N-(2,4-diamino-1-methyl-6-oxopyrimidin-5-yl)-2-(diethylamino)acetamide is CCN(CC)CC(=O)Nc1c(N)nc(N)n(C)c1=O.
What is the InChIKey of N-(2,4-diamino-1-methyl-6-oxopyrimidin-5-yl)-2-(diethylamino)acetamide?
The InChIKey is PRSKROJSLSYNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-4-17(5-2)6-7(18)14-8-9(12)15-11(13)16(3)10(8)19/h4-6,12H2,1-3H3,(H2,13,15)(H,14,18).
What are the key properties of N-(2,4-diamino-1-methyl-6-oxopyrimidin-5-yl)-2-(diethylamino)acetamide?
N-(2,4-diamino-1-methyl-6-oxopyrimidin-5-yl)-2-(diethylamino)acetamide has a molecular weight of 268.32 g/mol, XLogP of -0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diamino-1-methyl-6-oxopyrimidin-5-yl)-2-(diethylamino)acetamide is sourced from PubChem (CID 91824310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).