2-ethyl-N-methyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine

C12H21N3O2 — CID 80941741

IUPAC2-ethyl-N-methyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
SMILESCCc1nc(NC)cc(OCCOC(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-5-10-14-11(13-4)8-12(15-10)17-7-6-16-9(2)3/h8-9H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyKQWZDLUMBOCPSI-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.88
Rot. Bonds7

About 2-ethyl-N-methyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine

2-ethyl-N-methyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine (PubChem CID 80941741) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-ethyl-N-methyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
PubChem CID80941741
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-ethyl-N-methyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
SMILESCCc1nc(NC)cc(OCCOC(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-5-10-14-11(13-4)8-12(15-10)17-7-6-16-9(2)3/h8-9H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyKQWZDLUMBOCPSI-UHFFFAOYSA-N
XLogP1.88
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.88
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

6-(2-butoxyethoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80941132
N-methyl-2-phenyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
CID 115915852
2-ethyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80942176
6-(2-methoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949765
6-(2-ethoxyethoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949615
6-(2-methoxyethoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 82456721
N-methyl-6-(2-propan-2-yloxyethoxy)pyridin-2-amine
CID 80860052
2-ethyl-N-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-4-amine
CID 80942065
2-ethyl-N-methyl-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80938888
N-butan-2-yl-2-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82454213
6-(2-ethylbutoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 114208764
2-ethyl-N-methyl-6-octan-2-yloxypyrimidin-4-amine
CID 80942122

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-methyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine (CID 80941741) is 2-ethyl-N-methyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-methyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-methyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine is CCc1nc(NC)cc(OCCOC(C)C)n1.
What is the InChIKey of 2-ethyl-N-methyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine?
The InChIKey is KQWZDLUMBOCPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-10-14-11(13-4)8-12(15-10)17-7-6-16-9(2)3/h8-9H,5-7H2,1-4H3,(H,13,14,15).
What are the key properties of 2-ethyl-N-methyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine?
2-ethyl-N-methyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine has a molecular weight of 239.32 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80941741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).