3-(6-ethylpyrimidin-4-yl)-N-methylpentan-2-amine

C12H21N3 — CID 63200379

IUPAC3-(6-ethylpyrimidin-4-yl)-N-methylpentan-2-amine
SMILESCCc1cc(C(CC)C(C)NC)ncn1
InChIInChI=1S/C12H21N3/c1-5-10-7-12(15-8-14-10)11(6-2)9(3)13-4/h7-9,11,13H,5-6H2,1-4H3
InChIKeyHUELNAZJOZDNSX-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.14
Rot. Bonds5

About 3-(6-ethylpyrimidin-4-yl)-N-methylpentan-2-amine

3-(6-ethylpyrimidin-4-yl)-N-methylpentan-2-amine (PubChem CID 63200379) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(6-ethylpyrimidin-4-yl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name3-(6-ethylpyrimidin-4-yl)-N-methylpentan-2-amine
PubChem CID63200379
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-(6-ethylpyrimidin-4-yl)-N-methylpentan-2-amine
SMILESCCc1cc(C(CC)C(C)NC)ncn1
InChIInChI=1S/C12H21N3/c1-5-10-7-12(15-8-14-10)11(6-2)9(3)13-4/h7-9,11,13H,5-6H2,1-4H3
InChIKeyHUELNAZJOZDNSX-UHFFFAOYSA-N
XLogP2.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-ethylpyrimidin-4-yl)-N-methylpentan-2-amine?
The IUPAC name of 3-(6-ethylpyrimidin-4-yl)-N-methylpentan-2-amine (CID 63200379) is 3-(6-ethylpyrimidin-4-yl)-N-methylpentan-2-amine.
What is the SMILES notation for 3-(6-ethylpyrimidin-4-yl)-N-methylpentan-2-amine?
The canonical SMILES for 3-(6-ethylpyrimidin-4-yl)-N-methylpentan-2-amine is CCc1cc(C(CC)C(C)NC)ncn1.
What is the InChIKey of 3-(6-ethylpyrimidin-4-yl)-N-methylpentan-2-amine?
The InChIKey is HUELNAZJOZDNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-10-7-12(15-8-14-10)11(6-2)9(3)13-4/h7-9,11,13H,5-6H2,1-4H3.
What are the key properties of 3-(6-ethylpyrimidin-4-yl)-N-methylpentan-2-amine?
3-(6-ethylpyrimidin-4-yl)-N-methylpentan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethylpyrimidin-4-yl)-N-methylpentan-2-amine is sourced from PubChem (CID 63200379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).