2-[5-[1-(ethylamino)ethyl]-4-methylpyrimidin-2-yl]acetamide

C11H18N4O — CID 62770494

IUPAC2-[5-[1-(ethylamino)ethyl]-4-methylpyrimidin-2-yl]acetamide
SMILESCCNC(C)c1cnc(CC(N)=O)nc1C
InChIInChI=1S/C11H18N4O/c1-4-13-7(2)9-6-14-11(5-10(12)16)15-8(9)3/h6-7,13H,4-5H2,1-3H3,(H2,12,16)
InChIKeyNFBQYYPWIIOUPN-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.48
Rot. Bonds5

About 2-[5-[1-(ethylamino)ethyl]-4-methylpyrimidin-2-yl]acetamide

2-[5-[1-(ethylamino)ethyl]-4-methylpyrimidin-2-yl]acetamide (PubChem CID 62770494) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[5-[1-(ethylamino)ethyl]-4-methylpyrimidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-[1-(ethylamino)ethyl]-4-methylpyrimidin-2-yl]acetamide
PubChem CID62770494
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-[5-[1-(ethylamino)ethyl]-4-methylpyrimidin-2-yl]acetamide
SMILESCCNC(C)c1cnc(CC(N)=O)nc1C
InChIInChI=1S/C11H18N4O/c1-4-13-7(2)9-6-14-11(5-10(12)16)15-8(9)3/h6-7,13H,4-5H2,1-3H3,(H2,12,16)
InChIKeyNFBQYYPWIIOUPN-UHFFFAOYSA-N
XLogP0.48
TPSA80.90 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 ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(ethylamino)ethyl]-4-methylpyrimidin-2-yl]acetamide?
The IUPAC name of 2-[5-[1-(ethylamino)ethyl]-4-methylpyrimidin-2-yl]acetamide (CID 62770494) is 2-[5-[1-(ethylamino)ethyl]-4-methylpyrimidin-2-yl]acetamide.
What is the SMILES notation for 2-[5-[1-(ethylamino)ethyl]-4-methylpyrimidin-2-yl]acetamide?
The canonical SMILES for 2-[5-[1-(ethylamino)ethyl]-4-methylpyrimidin-2-yl]acetamide is CCNC(C)c1cnc(CC(N)=O)nc1C.
What is the InChIKey of 2-[5-[1-(ethylamino)ethyl]-4-methylpyrimidin-2-yl]acetamide?
The InChIKey is NFBQYYPWIIOUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-4-13-7(2)9-6-14-11(5-10(12)16)15-8(9)3/h6-7,13H,4-5H2,1-3H3,(H2,12,16).
What are the key properties of 2-[5-[1-(ethylamino)ethyl]-4-methylpyrimidin-2-yl]acetamide?
2-[5-[1-(ethylamino)ethyl]-4-methylpyrimidin-2-yl]acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(ethylamino)ethyl]-4-methylpyrimidin-2-yl]acetamide is sourced from PubChem (CID 62770494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).