N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide

C11H18N4O — CID 59137393

IUPACN-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nccc(C(C)C)n1
InChIInChI=1S/C11H18N4O/c1-8(2)10-4-5-13-11(15-10)14-7-6-12-9(3)16/h4-5,8H,6-7H2,1-3H3,(H,12,16)(H,13,14,15)
InChIKeyUGTTWAUQWDIDCB-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.15
Rot. Bonds5

About N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide

N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide (PubChem CID 59137393) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide
PubChem CID59137393
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nccc(C(C)C)n1
InChIInChI=1S/C11H18N4O/c1-8(2)10-4-5-13-11(15-10)14-7-6-12-9(3)16/h4-5,8H,6-7H2,1-3H3,(H,12,16)(H,13,14,15)
InChIKeyUGTTWAUQWDIDCB-UHFFFAOYSA-N
XLogP1.15
TPSA66.91 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 ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide (CID 59137393) is N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide is CC(=O)NCCNc1nccc(C(C)C)n1.
What is the InChIKey of N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide?
The InChIKey is UGTTWAUQWDIDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8(2)10-4-5-13-11(15-10)14-7-6-12-9(3)16/h4-5,8H,6-7H2,1-3H3,(H,12,16)(H,13,14,15).
What are the key properties of N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide?
N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide has a molecular weight of 222.29 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide is sourced from PubChem (CID 59137393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).