2-chloro-N-(oxetan-3-yl)pyrimidin-4-amine

C7H8ClN3O — CID 140802487

IUPAC2-chloro-N-(oxetan-3-yl)pyrimidin-4-amine
SMILESClc1nccc(NC2COC2)n1
InChIInChI=1S/C7H8ClN3O/c8-7-9-2-1-6(11-7)10-5-3-12-4-5/h1-2,5H,3-4H2,(H,9,10,11)
InChIKeyQKLVFIVPDJXETQ-UHFFFAOYSA-N
MW185.61 g/mol
LogP0.94
Rot. Bonds2

About 2-chloro-N-(oxetan-3-yl)pyrimidin-4-amine

2-chloro-N-(oxetan-3-yl)pyrimidin-4-amine (PubChem CID 140802487) has the molecular formula C7H8ClN3O and a molecular weight of 185.61 g/mol. Its IUPAC name is 2-chloro-N-(oxetan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(oxetan-3-yl)pyrimidin-4-amine
PubChem CID140802487
Molecular FormulaC7H8ClN3O
Molecular Weight185.61 g/mol
Exact Mass185.04
IUPAC Name2-chloro-N-(oxetan-3-yl)pyrimidin-4-amine
SMILESClc1nccc(NC2COC2)n1
InChIInChI=1S/C7H8ClN3O/c8-7-9-2-1-6(11-7)10-5-3-12-4-5/h1-2,5H,3-4H2,(H,9,10,11)
InChIKeyQKLVFIVPDJXETQ-UHFFFAOYSA-N
XLogP0.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(oxetan-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(oxetan-3-yl)pyrimidin-4-amine (CID 140802487) is 2-chloro-N-(oxetan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(oxetan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(oxetan-3-yl)pyrimidin-4-amine is Clc1nccc(NC2COC2)n1.
What is the InChIKey of 2-chloro-N-(oxetan-3-yl)pyrimidin-4-amine?
The InChIKey is QKLVFIVPDJXETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O/c8-7-9-2-1-6(11-7)10-5-3-12-4-5/h1-2,5H,3-4H2,(H,9,10,11).
What are the key properties of 2-chloro-N-(oxetan-3-yl)pyrimidin-4-amine?
2-chloro-N-(oxetan-3-yl)pyrimidin-4-amine has a molecular weight of 185.61 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(oxetan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 140802487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).