6-chloro-2-(oxan-4-yl)pyrimidin-4-amine

C9H12ClN3O — CID 138039841

IUPAC6-chloro-2-(oxan-4-yl)pyrimidin-4-amine
SMILESNc1cc(Cl)nc(C2CCOCC2)n1
InChIInChI=1S/C9H12ClN3O/c10-7-5-8(11)13-9(12-7)6-1-3-14-4-2-6/h5-6H,1-4H2,(H2,11,12,13)
InChIKeyOUBMKPDMCNEUKV-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.61
Rot. Bonds1

About 6-chloro-2-(oxan-4-yl)pyrimidin-4-amine

6-chloro-2-(oxan-4-yl)pyrimidin-4-amine (PubChem CID 138039841) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 6-chloro-2-(oxan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(oxan-4-yl)pyrimidin-4-amine
PubChem CID138039841
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name6-chloro-2-(oxan-4-yl)pyrimidin-4-amine
SMILESNc1cc(Cl)nc(C2CCOCC2)n1
InChIInChI=1S/C9H12ClN3O/c10-7-5-8(11)13-9(12-7)6-1-3-14-4-2-6/h5-6H,1-4H2,(H2,11,12,13)
InChIKeyOUBMKPDMCNEUKV-UHFFFAOYSA-N
XLogP1.61
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(oxan-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-(oxan-4-yl)pyrimidin-4-amine (CID 138039841) is 6-chloro-2-(oxan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-(oxan-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-(oxan-4-yl)pyrimidin-4-amine is Nc1cc(Cl)nc(C2CCOCC2)n1.
What is the InChIKey of 6-chloro-2-(oxan-4-yl)pyrimidin-4-amine?
The InChIKey is OUBMKPDMCNEUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-7-5-8(11)13-9(12-7)6-1-3-14-4-2-6/h5-6H,1-4H2,(H2,11,12,13).
What are the key properties of 6-chloro-2-(oxan-4-yl)pyrimidin-4-amine?
6-chloro-2-(oxan-4-yl)pyrimidin-4-amine has a molecular weight of 213.67 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(oxan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 138039841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).