N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]acetamide

C10H17N5O — CID 64828497

IUPACN-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ccnc(N(C)C)n1
InChIInChI=1S/C10H17N5O/c1-8(16)11-6-7-12-9-4-5-13-10(14-9)15(2)3/h4-5H,6-7H2,1-3H3,(H,11,16)(H,12,13,14)
InChIKeyQVICUBJLKGZSFF-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.09
Rot. Bonds5

About N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]acetamide

N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]acetamide (PubChem CID 64828497) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]acetamide
PubChem CID64828497
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC NameN-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ccnc(N(C)C)n1
InChIInChI=1S/C10H17N5O/c1-8(16)11-6-7-12-9-4-5-13-10(14-9)15(2)3/h4-5H,6-7H2,1-3H3,(H,11,16)(H,12,13,14)
InChIKeyQVICUBJLKGZSFF-UHFFFAOYSA-N
XLogP0.09
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]acetamide (CID 64828497) is N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]acetamide is CC(=O)NCCNc1ccnc(N(C)C)n1.
What is the InChIKey of N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]acetamide?
The InChIKey is QVICUBJLKGZSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-8(16)11-6-7-12-9-4-5-13-10(14-9)15(2)3/h4-5H,6-7H2,1-3H3,(H,11,16)(H,12,13,14).
What are the key properties of N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]acetamide?
N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]acetamide has a molecular weight of 223.28 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 64828497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).