6-chloro-2,5-dimethyl-N-(oxan-4-yl)pyrimidin-4-amine

C11H16ClN3O — CID 63728264

IUPAC6-chloro-2,5-dimethyl-N-(oxan-4-yl)pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NC2CCOCC2)n1
InChIInChI=1S/C11H16ClN3O/c1-7-10(12)13-8(2)14-11(7)15-9-3-5-16-6-4-9/h9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyKHBDOWSIBGAGAV-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.34
Rot. Bonds2

About 6-chloro-2,5-dimethyl-N-(oxan-4-yl)pyrimidin-4-amine

6-chloro-2,5-dimethyl-N-(oxan-4-yl)pyrimidin-4-amine (PubChem CID 63728264) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 6-chloro-2,5-dimethyl-N-(oxan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2,5-dimethyl-N-(oxan-4-yl)pyrimidin-4-amine
PubChem CID63728264
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name6-chloro-2,5-dimethyl-N-(oxan-4-yl)pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NC2CCOCC2)n1
InChIInChI=1S/C11H16ClN3O/c1-7-10(12)13-8(2)14-11(7)15-9-3-5-16-6-4-9/h9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyKHBDOWSIBGAGAV-UHFFFAOYSA-N
XLogP2.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,5-dimethyl-N-(oxan-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2,5-dimethyl-N-(oxan-4-yl)pyrimidin-4-amine (CID 63728264) is 6-chloro-2,5-dimethyl-N-(oxan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2,5-dimethyl-N-(oxan-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2,5-dimethyl-N-(oxan-4-yl)pyrimidin-4-amine is Cc1nc(Cl)c(C)c(NC2CCOCC2)n1.
What is the InChIKey of 6-chloro-2,5-dimethyl-N-(oxan-4-yl)pyrimidin-4-amine?
The InChIKey is KHBDOWSIBGAGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7-10(12)13-8(2)14-11(7)15-9-3-5-16-6-4-9/h9H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 6-chloro-2,5-dimethyl-N-(oxan-4-yl)pyrimidin-4-amine?
6-chloro-2,5-dimethyl-N-(oxan-4-yl)pyrimidin-4-amine has a molecular weight of 241.72 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,5-dimethyl-N-(oxan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 63728264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).