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

C15H27N3O2 — CID 106669067

IUPAC2-ethyl-6-(3-methoxy-3-methylbutoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(OCCC(C)(C)OC)nc(CC)n1
InChIInChI=1S/C15H27N3O2/c1-6-9-16-13-11-14(18-12(7-2)17-13)20-10-8-15(3,4)19-5/h11H,6-10H2,1-5H3,(H,16,17,18)
InChIKeyQYLQXTMYCAOSKC-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.05
Rot. Bonds9

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

2-ethyl-6-(3-methoxy-3-methylbutoxy)-N-propylpyrimidin-4-amine (PubChem CID 106669067) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-ethyl-6-(3-methoxy-3-methylbutoxy)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(3-methoxy-3-methylbutoxy)-N-propylpyrimidin-4-amine
PubChem CID106669067
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-ethyl-6-(3-methoxy-3-methylbutoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(OCCC(C)(C)OC)nc(CC)n1
InChIInChI=1S/C15H27N3O2/c1-6-9-16-13-11-14(18-12(7-2)17-13)20-10-8-15(3,4)19-5/h11H,6-10H2,1-5H3,(H,16,17,18)
InChIKeyQYLQXTMYCAOSKC-UHFFFAOYSA-N
XLogP3.05
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-(3-methoxypropoxy)-N-propylpyrimidin-4-amine
CID 80941336
6-[2-(diethylamino)ethoxy]-2-ethyl-N-propylpyrimidin-4-amine
CID 80942263
6-[2-(dimethylamino)-2-methylpropoxy]-2-ethyl-N-propylpyrimidin-4-amine
CID 80937326
2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine
CID 113401645
N-(2-ethyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82454057
N-ethyl-6-(3-methoxy-3-methylbutoxy)-2-propan-2-ylpyrimidin-4-amine
CID 106669036
2-methyl-N-propyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
CID 82959220
2-ethyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine
CID 102989348
4-chloro-2-(ethoxymethyl)-6-(3-methoxy-3-methylbutoxy)pyrimidine
CID 106665560
2-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80866216
2-ethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80935134
N-butyl-2-(methoxymethyl)-6-propoxypyrimidin-4-amine
CID 82456662

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(3-methoxy-3-methylbutoxy)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(3-methoxy-3-methylbutoxy)-N-propylpyrimidin-4-amine (CID 106669067) is 2-ethyl-6-(3-methoxy-3-methylbutoxy)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(3-methoxy-3-methylbutoxy)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(3-methoxy-3-methylbutoxy)-N-propylpyrimidin-4-amine is CCCNc1cc(OCCC(C)(C)OC)nc(CC)n1.
What is the InChIKey of 2-ethyl-6-(3-methoxy-3-methylbutoxy)-N-propylpyrimidin-4-amine?
The InChIKey is QYLQXTMYCAOSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-6-9-16-13-11-14(18-12(7-2)17-13)20-10-8-15(3,4)19-5/h11H,6-10H2,1-5H3,(H,16,17,18).
What are the key properties of 2-ethyl-6-(3-methoxy-3-methylbutoxy)-N-propylpyrimidin-4-amine?
2-ethyl-6-(3-methoxy-3-methylbutoxy)-N-propylpyrimidin-4-amine has a molecular weight of 281.40 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(3-methoxy-3-methylbutoxy)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 106669067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).