2-butyl-5-ethyl-N,6-dimethylpyrimidin-4-amine

C12H21N3 — CID 79412709

IUPAC2-butyl-5-ethyl-N,6-dimethylpyrimidin-4-amine
SMILESCCCCc1nc(C)c(CC)c(NC)n1
InChIInChI=1S/C12H21N3/c1-5-7-8-11-14-9(3)10(6-2)12(13-4)15-11/h5-8H2,1-4H3,(H,13,14,15)
InChIKeyXFPKFSYEABKUFR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.73
Rot. Bonds5

About 2-butyl-5-ethyl-N,6-dimethylpyrimidin-4-amine

2-butyl-5-ethyl-N,6-dimethylpyrimidin-4-amine (PubChem CID 79412709) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-butyl-5-ethyl-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-butyl-5-ethyl-N,6-dimethylpyrimidin-4-amine
PubChem CID79412709
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-butyl-5-ethyl-N,6-dimethylpyrimidin-4-amine
SMILESCCCCc1nc(C)c(CC)c(NC)n1
InChIInChI=1S/C12H21N3/c1-5-7-8-11-14-9(3)10(6-2)12(13-4)15-11/h5-8H2,1-4H3,(H,13,14,15)
InChIKeyXFPKFSYEABKUFR-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-butyl-5-ethyl-N,6-dimethylpyrimidin-4-amine (CID 79412709) is 2-butyl-5-ethyl-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-butyl-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-butyl-5-ethyl-N,6-dimethylpyrimidin-4-amine is CCCCc1nc(C)c(CC)c(NC)n1.
What is the InChIKey of 2-butyl-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The InChIKey is XFPKFSYEABKUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-7-8-11-14-9(3)10(6-2)12(13-4)15-11/h5-8H2,1-4H3,(H,13,14,15).
What are the key properties of 2-butyl-5-ethyl-N,6-dimethylpyrimidin-4-amine?
2-butyl-5-ethyl-N,6-dimethylpyrimidin-4-amine has a molecular weight of 207.32 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-ethyl-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 79412709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).