N-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrimidin-2-amine

C11H19N3O2 — CID 106451393

IUPACN-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrimidin-2-amine
SMILESCNc1nccc(OCCOCC(C)C)n1
InChIInChI=1S/C11H19N3O2/c1-9(2)8-15-6-7-16-10-4-5-13-11(12-3)14-10/h4-5,9H,6-8H2,1-3H3,(H,12,13,14)
InChIKeySLLBZIKZHWAUDE-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.57
Rot. Bonds7

About N-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrimidin-2-amine

N-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrimidin-2-amine (PubChem CID 106451393) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrimidin-2-amine
PubChem CID106451393
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrimidin-2-amine
SMILESCNc1nccc(OCCOCC(C)C)n1
InChIInChI=1S/C11H19N3O2/c1-9(2)8-15-6-7-16-10-4-5-13-11(12-3)14-10/h4-5,9H,6-8H2,1-3H3,(H,12,13,14)
InChIKeySLLBZIKZHWAUDE-UHFFFAOYSA-N
XLogP1.57
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-2-amine
CID 104568221
3-[2-(methylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80865476
N-methyl-4-[2-(2-methylpropoxy)ethoxy]-6-(trifluoromethyl)pyrimidin-2-amine
CID 106451304
N-methyl-6-[2-(2-methylpropoxy)ethoxy]pyrazin-2-amine
CID 106451330
[4-(3-methylbutoxy)pyrimidin-2-yl]hydrazine
CID 80909283
[4-[2-(2-methoxyethoxy)ethoxy]pyrimidin-2-yl]hydrazine
CID 104568494
4-methoxy-N-methyl-6-[2-(2-methylpropoxy)ethoxy]-1,3,5-triazin-2-amine
CID 106451460
[6-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]methanol
CID 106448445
N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethanamine
CID 106447924
N-[1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethyl]propan-1-amine
CID 106447868
N-(7-methyloctyl)-4-propoxypyrimidin-2-amine
CID 107816065
4-[(4-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine
CID 80877014

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrimidin-2-amine?
The IUPAC name of N-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrimidin-2-amine (CID 106451393) is N-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrimidin-2-amine is CNc1nccc(OCCOCC(C)C)n1.
What is the InChIKey of N-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrimidin-2-amine?
The InChIKey is SLLBZIKZHWAUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(2)8-15-6-7-16-10-4-5-13-11(12-3)14-10/h4-5,9H,6-8H2,1-3H3,(H,12,13,14).
What are the key properties of N-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrimidin-2-amine?
N-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrimidin-2-amine has a molecular weight of 225.29 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrimidin-2-amine is sourced from PubChem (CID 106451393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).