1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]-N-methyl-N-(1,3-oxazol-4-ylmethyl)azetidin-3-amine

C18H17F2N5O — CID 139027582

IUPAC1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]-N-methyl-N-(1,3-oxazol-4-ylmethyl)azetidin-3-amine
SMILESCN(Cc1cocn1)C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1
InChIInChI=1S/C18H17F2N5O/c1-24(6-14-9-26-11-23-14)15-7-25(8-15)18-16(20)17(21-10-22-18)12-2-4-13(19)5-3-12/h2-5,9-11,15H,6-8H2,1H3
InChIKeyMRNAWTVOPXPQGE-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.73
Rot. Bonds5

About 1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]-N-methyl-N-(1,3-oxazol-4-ylmethyl)azetidin-3-amine

1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]-N-methyl-N-(1,3-oxazol-4-ylmethyl)azetidin-3-amine (PubChem CID 139027582) has the molecular formula C18H17F2N5O and a molecular weight of 357.36 g/mol. Its IUPAC name is 1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]-N-methyl-N-(1,3-oxazol-4-ylmethyl)azetidin-3-amine.

Molecular Properties

Compound Name1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]-N-methyl-N-(1,3-oxazol-4-ylmethyl)azetidin-3-amine
PubChem CID139027582
Molecular FormulaC18H17F2N5O
Molecular Weight357.36 g/mol
Exact Mass357.14
IUPAC Name1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]-N-methyl-N-(1,3-oxazol-4-ylmethyl)azetidin-3-amine
SMILESCN(Cc1cocn1)C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1
InChIInChI=1S/C18H17F2N5O/c1-24(6-14-9-26-11-23-14)15-7-25(8-15)18-16(20)17(21-10-22-18)12-2-4-13(19)5-3-12/h2-5,9-11,15H,6-8H2,1H3
InChIKeyMRNAWTVOPXPQGE-UHFFFAOYSA-N
XLogP2.73
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]-N-methyl-N-(1,3-oxazol-4-ylmethyl)azetidin-3-amine with MolForge

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Related Compounds

N-(2-(4-(oxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoro-methyl)phenyl)pyrimidine-2-carboxamide
CID 129032655
US10172856, Example 19
CID 135353284
US10172856, Example 23
CID 135353326
US10172856, Example 109
CID 135353344
US10172856, Example 110
CID 137395043
US10172856, Example 117
CID 135350550
US10172856, Example 122
CID 135350832
2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-4-N-[4-(methoxymethyl)-1,3-oxazol-5-yl]-5,6-dimethylpyrimidine-2,4-diamine
CID 10126492
4-[[4-[4-(4-Fluorophenyl)-5-pyrimidin-4-ylimidazol-1-yl]piperidin-1-yl]methyl]-1,3-oxazole
CID 67104542
4-[1-[(2-Fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole
CID 69281015
4-[2-[(2-Fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole
CID 69281016
2-(3,3-difluoroazetidin-1-yl)-6-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine
CID 117685264

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]-N-methyl-N-(1,3-oxazol-4-ylmethyl)azetidin-3-amine?
The IUPAC name of 1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]-N-methyl-N-(1,3-oxazol-4-ylmethyl)azetidin-3-amine (CID 139027582) is 1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]-N-methyl-N-(1,3-oxazol-4-ylmethyl)azetidin-3-amine.
What is the SMILES notation for 1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]-N-methyl-N-(1,3-oxazol-4-ylmethyl)azetidin-3-amine?
The canonical SMILES for 1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]-N-methyl-N-(1,3-oxazol-4-ylmethyl)azetidin-3-amine is CN(Cc1cocn1)C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1.
What is the InChIKey of 1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]-N-methyl-N-(1,3-oxazol-4-ylmethyl)azetidin-3-amine?
The InChIKey is MRNAWTVOPXPQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O/c1-24(6-14-9-26-11-23-14)15-7-25(8-15)18-16(20)17(21-10-22-18)12-2-4-13(19)5-3-12/h2-5,9-11,15H,6-8H2,1H3.
What are the key properties of 1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]-N-methyl-N-(1,3-oxazol-4-ylmethyl)azetidin-3-amine?
1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]-N-methyl-N-(1,3-oxazol-4-ylmethyl)azetidin-3-amine has a molecular weight of 357.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]-N-methyl-N-(1,3-oxazol-4-ylmethyl)azetidin-3-amine is sourced from PubChem (CID 139027582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).