6-ethoxy-N-(3-methylbutyl)pyrimidin-4-amine

C11H19N3O — CID 66325707

IUPAC6-ethoxy-N-(3-methylbutyl)pyrimidin-4-amine
SMILESCCOc1cc(NCCC(C)C)ncn1
InChIInChI=1S/C11H19N3O/c1-4-15-11-7-10(13-8-14-11)12-6-5-9(2)3/h7-9H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyUUOAILCJFBTIOK-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.33
Rot. Bonds6

About 6-ethoxy-N-(3-methylbutyl)pyrimidin-4-amine

6-ethoxy-N-(3-methylbutyl)pyrimidin-4-amine (PubChem CID 66325707) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 6-ethoxy-N-(3-methylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-(3-methylbutyl)pyrimidin-4-amine
PubChem CID66325707
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name6-ethoxy-N-(3-methylbutyl)pyrimidin-4-amine
SMILESCCOc1cc(NCCC(C)C)ncn1
InChIInChI=1S/C11H19N3O/c1-4-15-11-7-10(13-8-14-11)12-6-5-9(2)3/h7-9H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyUUOAILCJFBTIOK-UHFFFAOYSA-N
XLogP2.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methylhexyl)-6-propoxypyrimidin-4-amine
CID 115326257
6-(2-methylpropoxy)-N-propylpyrimidin-4-amine
CID 80860454
1-N-(6-ethoxypyrimidin-4-yl)-3-methylbutane-1,2-diamine
CID 66319691
N-(6-ethoxypyrimidin-4-yl)-2-methylbutane-1,4-diamine
CID 66333180
3-[(6-ethoxypyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 113410765
N-(6-ethoxypyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine
CID 115303214
6-ethoxy-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 113327797
6-ethoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 66330187
6-ethoxy-N-(3-methylpentan-2-yl)pyrimidin-4-amine
CID 66330763
6-ethoxy-N-(4-methylhexan-2-yl)pyrimidin-4-amine
CID 66328442
6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine
CID 66328382
4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66330560

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(3-methylbutyl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-(3-methylbutyl)pyrimidin-4-amine (CID 66325707) is 6-ethoxy-N-(3-methylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-(3-methylbutyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-(3-methylbutyl)pyrimidin-4-amine is CCOc1cc(NCCC(C)C)ncn1.
What is the InChIKey of 6-ethoxy-N-(3-methylbutyl)pyrimidin-4-amine?
The InChIKey is UUOAILCJFBTIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-15-11-7-10(13-8-14-11)12-6-5-9(2)3/h7-9H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of 6-ethoxy-N-(3-methylbutyl)pyrimidin-4-amine?
6-ethoxy-N-(3-methylbutyl)pyrimidin-4-amine has a molecular weight of 209.29 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(3-methylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 66325707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).