1-(2-chloro-5-fluoropyrimidin-4-yl)oxy-N,N,2-trimethylpropan-2-amine

C10H15ClFN3O — CID 79679935

IUPAC1-(2-chloro-5-fluoropyrimidin-4-yl)oxy-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)COc1nc(Cl)ncc1F
InChIInChI=1S/C10H15ClFN3O/c1-10(2,15(3)4)6-16-8-7(12)5-13-9(11)14-8/h5H,6H2,1-4H3
InChIKeyUXVVNQXOENXXKM-UHFFFAOYSA-N
MW247.70 g/mol
LogP1.99
Rot. Bonds4

About 1-(2-chloro-5-fluoropyrimidin-4-yl)oxy-N,N,2-trimethylpropan-2-amine

1-(2-chloro-5-fluoropyrimidin-4-yl)oxy-N,N,2-trimethylpropan-2-amine (PubChem CID 79679935) has the molecular formula C10H15ClFN3O and a molecular weight of 247.70 g/mol. Its IUPAC name is 1-(2-chloro-5-fluoropyrimidin-4-yl)oxy-N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluoropyrimidin-4-yl)oxy-N,N,2-trimethylpropan-2-amine
PubChem CID79679935
Molecular FormulaC10H15ClFN3O
Molecular Weight247.70 g/mol
Exact Mass247.09
IUPAC Name1-(2-chloro-5-fluoropyrimidin-4-yl)oxy-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)COc1nc(Cl)ncc1F
InChIInChI=1S/C10H15ClFN3O/c1-10(2,15(3)4)6-16-8-7(12)5-13-9(11)14-8/h5H,6H2,1-4H3
InChIKeyUXVVNQXOENXXKM-UHFFFAOYSA-N
XLogP1.99
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine, 2,4-diethoxy-5-methyl-
CID 81612
5-Methyl-4-(neopentyloxy)pyrimidin-2-amine
CID 122516792
Bis-Pro-5FU
CID 155118873
Pyrimidine, 2-amino-4-(2-dimethylaminoethoxy)-
CID 3025154
2-Chloro-5-fluoro-4-methoxypyrimidine
CID 13530704
5-Fluoro-2,4-dimethoxypyrimidine
CID 268774
2-Chloro-4-propoxypyrimidine
CID 13869566
5-Bromo-2-chloro-4-(propan-2-yloxy)pyrimidine
CID 79076021
2,4-Bis(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 118498160
2-Methoxy-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 140282354
2-[(2-Methylpropan-2-yl)oxy]-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 140282357
2-Propan-2-yloxy-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 140282358

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluoropyrimidin-4-yl)oxy-N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-(2-chloro-5-fluoropyrimidin-4-yl)oxy-N,N,2-trimethylpropan-2-amine (CID 79679935) is 1-(2-chloro-5-fluoropyrimidin-4-yl)oxy-N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-5-fluoropyrimidin-4-yl)oxy-N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-5-fluoropyrimidin-4-yl)oxy-N,N,2-trimethylpropan-2-amine is CN(C)C(C)(C)COc1nc(Cl)ncc1F.
What is the InChIKey of 1-(2-chloro-5-fluoropyrimidin-4-yl)oxy-N,N,2-trimethylpropan-2-amine?
The InChIKey is UXVVNQXOENXXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClFN3O/c1-10(2,15(3)4)6-16-8-7(12)5-13-9(11)14-8/h5H,6H2,1-4H3.
What are the key properties of 1-(2-chloro-5-fluoropyrimidin-4-yl)oxy-N,N,2-trimethylpropan-2-amine?
1-(2-chloro-5-fluoropyrimidin-4-yl)oxy-N,N,2-trimethylpropan-2-amine has a molecular weight of 247.70 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluoropyrimidin-4-yl)oxy-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 79679935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).