N-[2-[(4-methoxypyrimidin-2-yl)-methylamino]ethyl]acetamide

C10H16N4O2 — CID 136548989

IUPACN-[2-[(4-methoxypyrimidin-2-yl)-methylamino]ethyl]acetamide
SMILESCOc1ccnc(N(C)CCNC(C)=O)n1
InChIInChI=1S/C10H16N4O2/c1-8(15)11-6-7-14(2)10-12-5-4-9(13-10)16-3/h4-5H,6-7H2,1-3H3,(H,11,15)
InChIKeyUTFYDOYWCOWNJX-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.06
Rot. Bonds5

About N-[2-[(4-methoxypyrimidin-2-yl)-methylamino]ethyl]acetamide

N-[2-[(4-methoxypyrimidin-2-yl)-methylamino]ethyl]acetamide (PubChem CID 136548989) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[2-[(4-methoxypyrimidin-2-yl)-methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-methoxypyrimidin-2-yl)-methylamino]ethyl]acetamide
PubChem CID136548989
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-[2-[(4-methoxypyrimidin-2-yl)-methylamino]ethyl]acetamide
SMILESCOc1ccnc(N(C)CCNC(C)=O)n1
InChIInChI=1S/C10H16N4O2/c1-8(15)11-6-7-14(2)10-12-5-4-9(13-10)16-3/h4-5H,6-7H2,1-3H3,(H,11,15)
InChIKeyUTFYDOYWCOWNJX-UHFFFAOYSA-N
XLogP0.06
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxypyrimidin-2-yl)-methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(4-methoxypyrimidin-2-yl)-methylamino]ethyl]acetamide (CID 136548989) is N-[2-[(4-methoxypyrimidin-2-yl)-methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(4-methoxypyrimidin-2-yl)-methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(4-methoxypyrimidin-2-yl)-methylamino]ethyl]acetamide is COc1ccnc(N(C)CCNC(C)=O)n1.
What is the InChIKey of N-[2-[(4-methoxypyrimidin-2-yl)-methylamino]ethyl]acetamide?
The InChIKey is UTFYDOYWCOWNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-8(15)11-6-7-14(2)10-12-5-4-9(13-10)16-3/h4-5H,6-7H2,1-3H3,(H,11,15).
What are the key properties of N-[2-[(4-methoxypyrimidin-2-yl)-methylamino]ethyl]acetamide?
N-[2-[(4-methoxypyrimidin-2-yl)-methylamino]ethyl]acetamide has a molecular weight of 224.26 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxypyrimidin-2-yl)-methylamino]ethyl]acetamide is sourced from PubChem (CID 136548989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).