3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide

C9H14N4O2 — CID 112691754

IUPAC3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide
SMILESCOc1cc(C)nc(NCCC(N)=O)n1
InChIInChI=1S/C9H14N4O2/c1-6-5-8(15-2)13-9(12-6)11-4-3-7(10)14/h5H,3-4H2,1-2H3,(H2,10,14)(H,11,12,13)
InChIKeyACNXGTUOKYAEAY-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.08
Rot. Bonds5

About 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide

3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide (PubChem CID 112691754) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide
PubChem CID112691754
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide
SMILESCOc1cc(C)nc(NCCC(N)=O)n1
InChIInChI=1S/C9H14N4O2/c1-6-5-8(15-2)13-9(12-6)11-4-3-7(10)14/h5H,3-4H2,1-2H3,(H2,10,14)(H,11,12,13)
InChIKeyACNXGTUOKYAEAY-UHFFFAOYSA-N
XLogP0.08
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide
CID 112636843
7-[(4-methoxy-6-methylpyrimidin-2-yl)amino]heptanoic acid
CID 112634346
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 112691011
4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanamide
CID 112636850
3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)amino]propanamide
CID 107546644
4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine
CID 112691022
6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol
CID 113351651
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide
CID 80787003
N-(4-methoxy-6-methylpyrimidin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 112691667
N-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 115973571
2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-methylbutanamide
CID 107600478
2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide
CID 107602431

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide?
The IUPAC name of 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide (CID 112691754) is 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide.
What is the SMILES notation for 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide?
The canonical SMILES for 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide is COc1cc(C)nc(NCCC(N)=O)n1.
What is the InChIKey of 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide?
The InChIKey is ACNXGTUOKYAEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6-5-8(15-2)13-9(12-6)11-4-3-7(10)14/h5H,3-4H2,1-2H3,(H2,10,14)(H,11,12,13).
What are the key properties of 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide?
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide has a molecular weight of 210.24 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide is sourced from PubChem (CID 112691754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).