3-(6-ethoxypyrimidin-4-yl)-N,4-dimethylpentan-2-amine

C13H23N3O — CID 66318350

IUPAC3-(6-ethoxypyrimidin-4-yl)-N,4-dimethylpentan-2-amine
SMILESCCOc1cc(C(C(C)C)C(C)NC)ncn1
InChIInChI=1S/C13H23N3O/c1-6-17-12-7-11(15-8-16-12)13(9(2)3)10(4)14-5/h7-10,13-14H,6H2,1-5H3
InChIKeyNPZQETSCYNKUCK-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.22
Rot. Bonds6

About 3-(6-ethoxypyrimidin-4-yl)-N,4-dimethylpentan-2-amine

3-(6-ethoxypyrimidin-4-yl)-N,4-dimethylpentan-2-amine (PubChem CID 66318350) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-(6-ethoxypyrimidin-4-yl)-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name3-(6-ethoxypyrimidin-4-yl)-N,4-dimethylpentan-2-amine
PubChem CID66318350
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-(6-ethoxypyrimidin-4-yl)-N,4-dimethylpentan-2-amine
SMILESCCOc1cc(C(C(C)C)C(C)NC)ncn1
InChIInChI=1S/C13H23N3O/c1-6-17-12-7-11(15-8-16-12)13(9(2)3)10(4)14-5/h7-10,13-14H,6H2,1-5H3
InChIKeyNPZQETSCYNKUCK-UHFFFAOYSA-N
XLogP2.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-ethoxypyrimidin-4-yl)-N,4-dimethylpentan-2-amine?
The IUPAC name of 3-(6-ethoxypyrimidin-4-yl)-N,4-dimethylpentan-2-amine (CID 66318350) is 3-(6-ethoxypyrimidin-4-yl)-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 3-(6-ethoxypyrimidin-4-yl)-N,4-dimethylpentan-2-amine?
The canonical SMILES for 3-(6-ethoxypyrimidin-4-yl)-N,4-dimethylpentan-2-amine is CCOc1cc(C(C(C)C)C(C)NC)ncn1.
What is the InChIKey of 3-(6-ethoxypyrimidin-4-yl)-N,4-dimethylpentan-2-amine?
The InChIKey is NPZQETSCYNKUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-17-12-7-11(15-8-16-12)13(9(2)3)10(4)14-5/h7-10,13-14H,6H2,1-5H3.
What are the key properties of 3-(6-ethoxypyrimidin-4-yl)-N,4-dimethylpentan-2-amine?
3-(6-ethoxypyrimidin-4-yl)-N,4-dimethylpentan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethoxypyrimidin-4-yl)-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 66318350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).