1,2,2-trimethylpyrimidin-4-amine

C7H13N3 — CID 20694654

IUPAC1,2,2-trimethylpyrimidin-4-amine
SMILESCN1C=CC(N)=NC1(C)C
InChIInChI=1S/C7H13N3/c1-7(2)9-6(8)4-5-10(7)3/h4-5H,1-3H3,(H2,8,9)
InChIKeyRKVGXOHMFRDCFK-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.54
Rot. Bonds

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

1,2,2-trimethylpyrimidin-4-amine (PubChem CID 20694654) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1,2,2-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name1,2,2-trimethylpyrimidin-4-amine
PubChem CID20694654
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1,2,2-trimethylpyrimidin-4-amine
SMILESCN1C=CC(N)=NC1(C)C
InChIInChI=1S/C7H13N3/c1-7(2)9-6(8)4-5-10(7)3/h4-5H,1-3H3,(H2,8,9)
InChIKeyRKVGXOHMFRDCFK-UHFFFAOYSA-N
XLogP0.54
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethylpyrimidin-4-amine?
The IUPAC name of 1,2,2-trimethylpyrimidin-4-amine (CID 20694654) is 1,2,2-trimethylpyrimidin-4-amine.
What is the SMILES notation for 1,2,2-trimethylpyrimidin-4-amine?
The canonical SMILES for 1,2,2-trimethylpyrimidin-4-amine is CN1C=CC(N)=NC1(C)C.
What is the InChIKey of 1,2,2-trimethylpyrimidin-4-amine?
The InChIKey is RKVGXOHMFRDCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-7(2)9-6(8)4-5-10(7)3/h4-5H,1-3H3,(H2,8,9).
What are the key properties of 1,2,2-trimethylpyrimidin-4-amine?
1,2,2-trimethylpyrimidin-4-amine has a molecular weight of 139.20 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethylpyrimidin-4-amine is sourced from PubChem (CID 20694654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).