4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine

C8H13N5 — CID 155533291

IUPAC4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CC(N)C2)nc(N)n1
InChIInChI=1S/C8H13N5/c1-5-2-7(12-8(10)11-5)13-3-6(9)4-13/h2,6H,3-4,9H2,1H3,(H2,10,11,12)
InChIKeyNNRWOZRAHOUFDJ-UHFFFAOYSA-N
MW179.23 g/mol
LogP-0.49
Rot. Bonds1

About 4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine

4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine (PubChem CID 155533291) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is 4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine
PubChem CID155533291
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CC(N)C2)nc(N)n1
InChIInChI=1S/C8H13N5/c1-5-2-7(12-8(10)11-5)13-3-6(9)4-13/h2,6H,3-4,9H2,1H3,(H2,10,11,12)
InChIKeyNNRWOZRAHOUFDJ-UHFFFAOYSA-N
XLogP-0.49
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine (CID 155533291) is 4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine is Cc1cc(N2CC(N)C2)nc(N)n1.
What is the InChIKey of 4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine?
The InChIKey is NNRWOZRAHOUFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-5-2-7(12-8(10)11-5)13-3-6(9)4-13/h2,6H,3-4,9H2,1H3,(H2,10,11,12).
What are the key properties of 4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine?
4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine has a molecular weight of 179.23 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 155533291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).