2-methyl-3-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide

C11H18N4O — CID 79202738

IUPAC2-methyl-3-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide
SMILESCNCC(C)C(=O)NCc1ccnc(C)n1
InChIInChI=1S/C11H18N4O/c1-8(6-12-3)11(16)14-7-10-4-5-13-9(2)15-10/h4-5,8,12H,6-7H2,1-3H3,(H,14,16)
InChIKeyLWLLEUOXCUXSHA-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.26
Rot. Bonds5

About 2-methyl-3-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide

2-methyl-3-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide (PubChem CID 79202738) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide
PubChem CID79202738
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-methyl-3-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide
SMILESCNCC(C)C(=O)NCc1ccnc(C)n1
InChIInChI=1S/C11H18N4O/c1-8(6-12-3)11(16)14-7-10-4-5-13-9(2)15-10/h4-5,8,12H,6-7H2,1-3H3,(H,14,16)
InChIKeyLWLLEUOXCUXSHA-UHFFFAOYSA-N
XLogP0.26
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide (CID 79202738) is 2-methyl-3-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide is CNCC(C)C(=O)NCc1ccnc(C)n1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide?
The InChIKey is LWLLEUOXCUXSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8(6-12-3)11(16)14-7-10-4-5-13-9(2)15-10/h4-5,8,12H,6-7H2,1-3H3,(H,14,16).
What are the key properties of 2-methyl-3-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide?
2-methyl-3-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide has a molecular weight of 222.29 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide is sourced from PubChem (CID 79202738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).