1-ethyl-4,6,6-trimethylpyrimidin-2-amine

C9H17N3 — CID 12695699

IUPAC1-ethyl-4,6,6-trimethylpyrimidin-2-amine
SMILESCCN1C(N)=NC(C)=CC1(C)C
InChIInChI=1S/C9H17N3/c1-5-12-8(10)11-7(2)6-9(12,3)4/h6H,5H2,1-4H3,(H2,10,11)
InChIKeyNSKUCCWTAPTTNP-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.32
Rot. Bonds1

About 1-ethyl-4,6,6-trimethylpyrimidin-2-amine

1-ethyl-4,6,6-trimethylpyrimidin-2-amine (PubChem CID 12695699) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-ethyl-4,6,6-trimethylpyrimidin-2-amine.

Molecular Properties

Compound Name1-ethyl-4,6,6-trimethylpyrimidin-2-amine
PubChem CID12695699
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-ethyl-4,6,6-trimethylpyrimidin-2-amine
SMILESCCN1C(N)=NC(C)=CC1(C)C
InChIInChI=1S/C9H17N3/c1-5-12-8(10)11-7(2)6-9(12,3)4/h6H,5H2,1-4H3,(H2,10,11)
InChIKeyNSKUCCWTAPTTNP-UHFFFAOYSA-N
XLogP1.32
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,6,6-trimethylpyrimidin-2-amine?
The IUPAC name of 1-ethyl-4,6,6-trimethylpyrimidin-2-amine (CID 12695699) is 1-ethyl-4,6,6-trimethylpyrimidin-2-amine.
What is the SMILES notation for 1-ethyl-4,6,6-trimethylpyrimidin-2-amine?
The canonical SMILES for 1-ethyl-4,6,6-trimethylpyrimidin-2-amine is CCN1C(N)=NC(C)=CC1(C)C.
What is the InChIKey of 1-ethyl-4,6,6-trimethylpyrimidin-2-amine?
The InChIKey is NSKUCCWTAPTTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-5-12-8(10)11-7(2)6-9(12,3)4/h6H,5H2,1-4H3,(H2,10,11).
What are the key properties of 1-ethyl-4,6,6-trimethylpyrimidin-2-amine?
1-ethyl-4,6,6-trimethylpyrimidin-2-amine has a molecular weight of 167.26 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,6,6-trimethylpyrimidin-2-amine is sourced from PubChem (CID 12695699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).