N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide

C11H18N4O — CID 72718146

IUPACN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nc(C)cc(N(C)C)n1
InChIInChI=1S/C11H18N4O/c1-5-11(16)12-7-9-13-8(2)6-10(14-9)15(3)4/h6H,5,7H2,1-4H3,(H,12,16)
InChIKeyUIQYPSXTJXJKMJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.88
Rot. Bonds4

About N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide

N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide (PubChem CID 72718146) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide
PubChem CID72718146
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nc(C)cc(N(C)C)n1
InChIInChI=1S/C11H18N4O/c1-5-11(16)12-7-9-13-8(2)6-10(14-9)15(3)4/h6H,5,7H2,1-4H3,(H,12,16)
InChIKeyUIQYPSXTJXJKMJ-UHFFFAOYSA-N
XLogP0.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide?
The IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide (CID 72718146) is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide is CCC(=O)NCc1nc(C)cc(N(C)C)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide?
The InChIKey is UIQYPSXTJXJKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-5-11(16)12-7-9-13-8(2)6-10(14-9)15(3)4/h6H,5,7H2,1-4H3,(H,12,16).
What are the key properties of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide?
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide has a molecular weight of 222.29 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide is sourced from PubChem (CID 72718146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).