N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(2-oxopyrimidin-1-yl)acetamide

C12H20N4O3 — CID 103839941

IUPACN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCN(C)CC(C)(O)CNC(=O)Cn1cccnc1=O
InChIInChI=1S/C12H20N4O3/c1-12(19,9-15(2)3)8-14-10(17)7-16-6-4-5-13-11(16)18/h4-6,19H,7-9H2,1-3H3,(H,14,17)
InChIKeyPNUVZJXVNKELMT-UHFFFAOYSA-N
MW268.32 g/mol
LogP-1.33
Rot. Bonds6

About N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(2-oxopyrimidin-1-yl)acetamide

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 103839941) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID103839941
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCN(C)CC(C)(O)CNC(=O)Cn1cccnc1=O
InChIInChI=1S/C12H20N4O3/c1-12(19,9-15(2)3)8-14-10(17)7-16-6-4-5-13-11(16)18/h4-6,19H,7-9H2,1-3H3,(H,14,17)
InChIKeyPNUVZJXVNKELMT-UHFFFAOYSA-N
XLogP-1.33
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(2-oxopyrimidin-1-yl)acetamide (CID 103839941) is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(2-oxopyrimidin-1-yl)acetamide is CN(C)CC(C)(O)CNC(=O)Cn1cccnc1=O.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is PNUVZJXVNKELMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-12(19,9-15(2)3)8-14-10(17)7-16-6-4-5-13-11(16)18/h4-6,19H,7-9H2,1-3H3,(H,14,17).
What are the key properties of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(2-oxopyrimidin-1-yl)acetamide?
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 268.32 g/mol, XLogP of -1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 103839941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).