2-(4-ethyl-6-methylpyrimidin-2-yl)-N-methylbutan-1-amine

C12H21N3 — CID 116896588

IUPAC2-(4-ethyl-6-methylpyrimidin-2-yl)-N-methylbutan-1-amine
SMILESCCc1cc(C)nc(C(CC)CNC)n1
InChIInChI=1S/C12H21N3/c1-5-10(8-13-4)12-14-9(3)7-11(6-2)15-12/h7,10,13H,5-6,8H2,1-4H3
InChIKeyZFZJJVMEWVLXJX-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.06
Rot. Bonds5

About 2-(4-ethyl-6-methylpyrimidin-2-yl)-N-methylbutan-1-amine

2-(4-ethyl-6-methylpyrimidin-2-yl)-N-methylbutan-1-amine (PubChem CID 116896588) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(4-ethyl-6-methylpyrimidin-2-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-(4-ethyl-6-methylpyrimidin-2-yl)-N-methylbutan-1-amine
PubChem CID116896588
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-(4-ethyl-6-methylpyrimidin-2-yl)-N-methylbutan-1-amine
SMILESCCc1cc(C)nc(C(CC)CNC)n1
InChIInChI=1S/C12H21N3/c1-5-10(8-13-4)12-14-9(3)7-11(6-2)15-12/h7,10,13H,5-6,8H2,1-4H3
InChIKeyZFZJJVMEWVLXJX-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-6-methylpyrimidin-2-yl)-N-methylbutan-1-amine?
The IUPAC name of 2-(4-ethyl-6-methylpyrimidin-2-yl)-N-methylbutan-1-amine (CID 116896588) is 2-(4-ethyl-6-methylpyrimidin-2-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 2-(4-ethyl-6-methylpyrimidin-2-yl)-N-methylbutan-1-amine?
The canonical SMILES for 2-(4-ethyl-6-methylpyrimidin-2-yl)-N-methylbutan-1-amine is CCc1cc(C)nc(C(CC)CNC)n1.
What is the InChIKey of 2-(4-ethyl-6-methylpyrimidin-2-yl)-N-methylbutan-1-amine?
The InChIKey is ZFZJJVMEWVLXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-10(8-13-4)12-14-9(3)7-11(6-2)15-12/h7,10,13H,5-6,8H2,1-4H3.
What are the key properties of 2-(4-ethyl-6-methylpyrimidin-2-yl)-N-methylbutan-1-amine?
2-(4-ethyl-6-methylpyrimidin-2-yl)-N-methylbutan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-6-methylpyrimidin-2-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 116896588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).