2-chloro-5-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine

C11H15ClFN3O — CID 79075902

IUPAC2-chloro-5-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine
SMILESCN(CC1CCOCC1)c1nc(Cl)ncc1F
InChIInChI=1S/C11H15ClFN3O/c1-16(7-8-2-4-17-5-3-8)10-9(13)6-14-11(12)15-10/h6,8H,2-5,7H2,1H3
InChIKeyMKJIZRJKSBZNEH-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.13
Rot. Bonds3

About 2-chloro-5-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine

2-chloro-5-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine (PubChem CID 79075902) has the molecular formula C11H15ClFN3O and a molecular weight of 259.71 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine
PubChem CID79075902
Molecular FormulaC11H15ClFN3O
Molecular Weight259.71 g/mol
Exact Mass259.09
IUPAC Name2-chloro-5-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine
SMILESCN(CC1CCOCC1)c1nc(Cl)ncc1F
InChIInChI=1S/C11H15ClFN3O/c1-16(7-8-2-4-17-5-3-8)10-9(13)6-14-11(12)15-10/h6,8H,2-5,7H2,1H3
InChIKeyMKJIZRJKSBZNEH-UHFFFAOYSA-N
XLogP2.13
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine (CID 79075902) is 2-chloro-5-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine is CN(CC1CCOCC1)c1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is MKJIZRJKSBZNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN3O/c1-16(7-8-2-4-17-5-3-8)10-9(13)6-14-11(12)15-10/h6,8H,2-5,7H2,1H3.
What are the key properties of 2-chloro-5-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine?
2-chloro-5-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 259.71 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 79075902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).