N-[2-[(2,6-dimethoxypyrimidin-4-yl)amino]ethyl]-2-methylpropanamide

C12H20N4O3 — CID 42153920

IUPACN-[2-[(2,6-dimethoxypyrimidin-4-yl)amino]ethyl]-2-methylpropanamide
SMILESCOc1cc(NCCNC(=O)C(C)C)nc(OC)n1
InChIInChI=1S/C12H20N4O3/c1-8(2)11(17)14-6-5-13-9-7-10(18-3)16-12(15-9)19-4/h7-8H,5-6H2,1-4H3,(H,14,17)(H,13,15,16)
InChIKeyTUEPTJSNMZGOQE-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.68
Rot. Bonds7

About N-[2-[(2,6-dimethoxypyrimidin-4-yl)amino]ethyl]-2-methylpropanamide

N-[2-[(2,6-dimethoxypyrimidin-4-yl)amino]ethyl]-2-methylpropanamide (PubChem CID 42153920) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[2-[(2,6-dimethoxypyrimidin-4-yl)amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(2,6-dimethoxypyrimidin-4-yl)amino]ethyl]-2-methylpropanamide
PubChem CID42153920
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-[2-[(2,6-dimethoxypyrimidin-4-yl)amino]ethyl]-2-methylpropanamide
SMILESCOc1cc(NCCNC(=O)C(C)C)nc(OC)n1
InChIInChI=1S/C12H20N4O3/c1-8(2)11(17)14-6-5-13-9-7-10(18-3)16-12(15-9)19-4/h7-8H,5-6H2,1-4H3,(H,14,17)(H,13,15,16)
InChIKeyTUEPTJSNMZGOQE-UHFFFAOYSA-N
XLogP0.68
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(2,6-dimethoxypyrimidin-4-yl)amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[(2,6-dimethoxypyrimidin-4-yl)amino]ethyl]-2-methylpropanamide (CID 42153920) is N-[2-[(2,6-dimethoxypyrimidin-4-yl)amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(2,6-dimethoxypyrimidin-4-yl)amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(2,6-dimethoxypyrimidin-4-yl)amino]ethyl]-2-methylpropanamide is COc1cc(NCCNC(=O)C(C)C)nc(OC)n1.
What is the InChIKey of N-[2-[(2,6-dimethoxypyrimidin-4-yl)amino]ethyl]-2-methylpropanamide?
The InChIKey is TUEPTJSNMZGOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-8(2)11(17)14-6-5-13-9-7-10(18-3)16-12(15-9)19-4/h7-8H,5-6H2,1-4H3,(H,14,17)(H,13,15,16).
What are the key properties of N-[2-[(2,6-dimethoxypyrimidin-4-yl)amino]ethyl]-2-methylpropanamide?
N-[2-[(2,6-dimethoxypyrimidin-4-yl)amino]ethyl]-2-methylpropanamide has a molecular weight of 268.32 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-dimethoxypyrimidin-4-yl)amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 42153920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).