N-ethyl-6-(3-methoxy-3-methylbutoxy)-2-propan-2-ylpyrimidin-4-amine

C15H27N3O2 — CID 106669036

IUPACN-ethyl-6-(3-methoxy-3-methylbutoxy)-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(OCCC(C)(C)OC)nc(C(C)C)n1
InChIInChI=1S/C15H27N3O2/c1-7-16-12-10-13(18-14(17-12)11(2)3)20-9-8-15(4,5)19-6/h10-11H,7-9H2,1-6H3,(H,16,17,18)
InChIKeyZTJPALQXDSCELL-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.23
Rot. Bonds8

About N-ethyl-6-(3-methoxy-3-methylbutoxy)-2-propan-2-ylpyrimidin-4-amine

N-ethyl-6-(3-methoxy-3-methylbutoxy)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 106669036) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-ethyl-6-(3-methoxy-3-methylbutoxy)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-methoxy-3-methylbutoxy)-2-propan-2-ylpyrimidin-4-amine
PubChem CID106669036
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-ethyl-6-(3-methoxy-3-methylbutoxy)-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(OCCC(C)(C)OC)nc(C(C)C)n1
InChIInChI=1S/C15H27N3O2/c1-7-16-12-10-13(18-14(17-12)11(2)3)20-9-8-15(4,5)19-6/h10-11H,7-9H2,1-6H3,(H,16,17,18)
InChIKeyZTJPALQXDSCELL-UHFFFAOYSA-N
XLogP3.23
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(dimethylamino)ethoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80963169
N-ethyl-6-pent-4-enoxy-2-propan-2-ylpyrimidin-4-amine
CID 80962371
6-[3-(dimethylamino)propoxy]-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80963365
N-ethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80955893
6-heptoxy-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80955663
2-ethyl-6-(3-methoxy-3-methylbutoxy)-N-propylpyrimidin-4-amine
CID 106669067
N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]ethanamine
CID 106667487
4-N-(2-ethoxyethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967942
6-but-3-yn-2-yloxy-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 106795289
6-(3,5-dimethylphenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80966273
6-(4-bromophenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80965984
N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]propan-2-amine
CID 106667444

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-methoxy-3-methylbutoxy)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(3-methoxy-3-methylbutoxy)-2-propan-2-ylpyrimidin-4-amine (CID 106669036) is N-ethyl-6-(3-methoxy-3-methylbutoxy)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(3-methoxy-3-methylbutoxy)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(3-methoxy-3-methylbutoxy)-2-propan-2-ylpyrimidin-4-amine is CCNc1cc(OCCC(C)(C)OC)nc(C(C)C)n1.
What is the InChIKey of N-ethyl-6-(3-methoxy-3-methylbutoxy)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZTJPALQXDSCELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-7-16-12-10-13(18-14(17-12)11(2)3)20-9-8-15(4,5)19-6/h10-11H,7-9H2,1-6H3,(H,16,17,18).
What are the key properties of N-ethyl-6-(3-methoxy-3-methylbutoxy)-2-propan-2-ylpyrimidin-4-amine?
N-ethyl-6-(3-methoxy-3-methylbutoxy)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 281.40 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-methoxy-3-methylbutoxy)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 106669036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).