2-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine

C12H21N3O2 — CID 112590912

IUPAC2-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine
SMILESCCc1nc(N)cc(OCCOC(C)(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-5-10-14-9(13)8-11(15-10)16-6-7-17-12(2,3)4/h8H,5-7H2,1-4H3,(H2,13,14,15)
InChIKeyWAMGOOVCNJJWBK-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.82
Rot. Bonds5

About 2-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine

2-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine (PubChem CID 112590912) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine
PubChem CID112590912
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine
SMILESCCc1nc(N)cc(OCCOC(C)(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-5-10-14-9(13)8-11(15-10)16-6-7-17-12(2,3)4/h8H,5-7H2,1-4H3,(H2,13,14,15)
InChIKeyWAMGOOVCNJJWBK-UHFFFAOYSA-N
XLogP1.82
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.82
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-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine-2,4-diamine
CID 112590841
6-hexoxy-2-propylpyrimidin-4-amine
CID 80949907
6-[(4-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine
CID 80941277
6-heptoxy-2-(methoxymethyl)pyrimidin-4-amine
CID 113401616
2-ethyl-6-(2-methoxyphenoxy)pyrimidin-4-amine
CID 80941255
6-[(3-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine
CID 80942588
6-(2-cyclopropylethoxy)-2-(ethoxymethyl)pyrimidin-4-amine
CID 106207534
2-ethyl-6-(1-phenylethoxy)pyrimidin-4-amine
CID 80941044
6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-amine
CID 80937801
6-(3,3-dimethylbutoxy)pyrimidine-2,4-diamine
CID 80877647
2-tert-butyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine
CID 106451224
2-ethyl-4-methyl-6-propoxypyrimidine
CID 176993458

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine (CID 112590912) is 2-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine is CCc1nc(N)cc(OCCOC(C)(C)C)n1.
What is the InChIKey of 2-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine?
The InChIKey is WAMGOOVCNJJWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-10-14-9(13)8-11(15-10)16-6-7-17-12(2,3)4/h8H,5-7H2,1-4H3,(H2,13,14,15).
What are the key properties of 2-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine?
2-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine has a molecular weight of 239.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine is sourced from PubChem (CID 112590912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).