2-[acetyl(methyl)amino]-N-[2-(dimethylamino)pyrimidin-5-yl]acetamide

C11H17N5O2 — CID 71789953

IUPAC2-[acetyl(methyl)amino]-N-[2-(dimethylamino)pyrimidin-5-yl]acetamide
SMILESCC(=O)N(C)CC(=O)Nc1cnc(N(C)C)nc1
InChIInChI=1S/C11H17N5O2/c1-8(17)16(4)7-10(18)14-9-5-12-11(13-6-9)15(2)3/h5-6H,7H2,1-4H3,(H,14,18)
InChIKeyMBLJTHCUAAQBOA-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.04
Rot. Bonds4

About 2-[acetyl(methyl)amino]-N-[2-(dimethylamino)pyrimidin-5-yl]acetamide

2-[acetyl(methyl)amino]-N-[2-(dimethylamino)pyrimidin-5-yl]acetamide (PubChem CID 71789953) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-[2-(dimethylamino)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-[2-(dimethylamino)pyrimidin-5-yl]acetamide
PubChem CID71789953
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name2-[acetyl(methyl)amino]-N-[2-(dimethylamino)pyrimidin-5-yl]acetamide
SMILESCC(=O)N(C)CC(=O)Nc1cnc(N(C)C)nc1
InChIInChI=1S/C11H17N5O2/c1-8(17)16(4)7-10(18)14-9-5-12-11(13-6-9)15(2)3/h5-6H,7H2,1-4H3,(H,14,18)
InChIKeyMBLJTHCUAAQBOA-UHFFFAOYSA-N
XLogP-0.04
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-[2-(dimethylamino)pyrimidin-5-yl]acetamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-[2-(dimethylamino)pyrimidin-5-yl]acetamide (CID 71789953) is 2-[acetyl(methyl)amino]-N-[2-(dimethylamino)pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-[2-(dimethylamino)pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-[2-(dimethylamino)pyrimidin-5-yl]acetamide is CC(=O)N(C)CC(=O)Nc1cnc(N(C)C)nc1.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-[2-(dimethylamino)pyrimidin-5-yl]acetamide?
The InChIKey is MBLJTHCUAAQBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-8(17)16(4)7-10(18)14-9-5-12-11(13-6-9)15(2)3/h5-6H,7H2,1-4H3,(H,14,18).
What are the key properties of 2-[acetyl(methyl)amino]-N-[2-(dimethylamino)pyrimidin-5-yl]acetamide?
2-[acetyl(methyl)amino]-N-[2-(dimethylamino)pyrimidin-5-yl]acetamide has a molecular weight of 251.29 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-[2-(dimethylamino)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 71789953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).