N,2-dimethyl-3-[(2,5,6-trimethylpyrimidin-4-yl)amino]propanamide

C12H20N4O — CID 72913259

IUPACN,2-dimethyl-3-[(2,5,6-trimethylpyrimidin-4-yl)amino]propanamide
SMILESCNC(=O)C(C)CNc1nc(C)nc(C)c1C
InChIInChI=1S/C12H20N4O/c1-7(12(17)13-5)6-14-11-8(2)9(3)15-10(4)16-11/h7H,6H2,1-5H3,(H,13,17)(H,14,15,16)
InChIKeyMKTIXKOVCKUYME-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.20
Rot. Bonds4

About N,2-dimethyl-3-[(2,5,6-trimethylpyrimidin-4-yl)amino]propanamide

N,2-dimethyl-3-[(2,5,6-trimethylpyrimidin-4-yl)amino]propanamide (PubChem CID 72913259) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N,2-dimethyl-3-[(2,5,6-trimethylpyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[(2,5,6-trimethylpyrimidin-4-yl)amino]propanamide
PubChem CID72913259
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN,2-dimethyl-3-[(2,5,6-trimethylpyrimidin-4-yl)amino]propanamide
SMILESCNC(=O)C(C)CNc1nc(C)nc(C)c1C
InChIInChI=1S/C12H20N4O/c1-7(12(17)13-5)6-14-11-8(2)9(3)15-10(4)16-11/h7H,6H2,1-5H3,(H,13,17)(H,14,15,16)
InChIKeyMKTIXKOVCKUYME-UHFFFAOYSA-N
XLogP1.20
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[(2,5,6-trimethylpyrimidin-4-yl)amino]propanamide?
The IUPAC name of N,2-dimethyl-3-[(2,5,6-trimethylpyrimidin-4-yl)amino]propanamide (CID 72913259) is N,2-dimethyl-3-[(2,5,6-trimethylpyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N,2-dimethyl-3-[(2,5,6-trimethylpyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N,2-dimethyl-3-[(2,5,6-trimethylpyrimidin-4-yl)amino]propanamide is CNC(=O)C(C)CNc1nc(C)nc(C)c1C.
What is the InChIKey of N,2-dimethyl-3-[(2,5,6-trimethylpyrimidin-4-yl)amino]propanamide?
The InChIKey is MKTIXKOVCKUYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-7(12(17)13-5)6-14-11-8(2)9(3)15-10(4)16-11/h7H,6H2,1-5H3,(H,13,17)(H,14,15,16).
What are the key properties of N,2-dimethyl-3-[(2,5,6-trimethylpyrimidin-4-yl)amino]propanamide?
N,2-dimethyl-3-[(2,5,6-trimethylpyrimidin-4-yl)amino]propanamide has a molecular weight of 236.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[(2,5,6-trimethylpyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 72913259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).