2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propanamide

C9H14N4O2 — CID 66327662

IUPAC2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propanamide
SMILESCOc1ncnc(NC(C)C(N)=O)c1C
InChIInChI=1S/C9H14N4O2/c1-5-8(13-6(2)7(10)14)11-4-12-9(5)15-3/h4,6H,1-3H3,(H2,10,14)(H,11,12,13)
InChIKeySUXHFWWWMUDCFU-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.08
Rot. Bonds4

About 2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propanamide

2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propanamide (PubChem CID 66327662) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propanamide
PubChem CID66327662
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propanamide
SMILESCOc1ncnc(NC(C)C(N)=O)c1C
InChIInChI=1S/C9H14N4O2/c1-5-8(13-6(2)7(10)14)11-4-12-9(5)15-3/h4,6H,1-3H3,(H2,10,14)(H,11,12,13)
InChIKeySUXHFWWWMUDCFU-UHFFFAOYSA-N
XLogP0.08
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propanamide?
The IUPAC name of 2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propanamide (CID 66327662) is 2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propanamide is COc1ncnc(NC(C)C(N)=O)c1C.
What is the InChIKey of 2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propanamide?
The InChIKey is SUXHFWWWMUDCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-5-8(13-6(2)7(10)14)11-4-12-9(5)15-3/h4,6H,1-3H3,(H2,10,14)(H,11,12,13).
What are the key properties of 2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propanamide?
2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propanamide has a molecular weight of 210.24 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 66327662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).