5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-2-amine

C9H9FN4O — CID 103826185

IUPAC5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-2-amine
SMILESCc1cnc(CNc2ncc(F)cn2)o1
InChIInChI=1S/C9H9FN4O/c1-6-2-11-8(15-6)5-14-9-12-3-7(10)4-13-9/h2-4H,5H2,1H3,(H,12,13,14)
InChIKeyFMKZVEXFBYZQOE-UHFFFAOYSA-N
MW208.20 g/mol
LogP1.52
Rot. Bonds3

About 5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-2-amine

5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-2-amine (PubChem CID 103826185) has the molecular formula C9H9FN4O and a molecular weight of 208.20 g/mol. Its IUPAC name is 5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-2-amine
PubChem CID103826185
Molecular FormulaC9H9FN4O
Molecular Weight208.20 g/mol
Exact Mass208.08
IUPAC Name5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-2-amine
SMILESCc1cnc(CNc2ncc(F)cn2)o1
InChIInChI=1S/C9H9FN4O/c1-6-2-11-8(15-6)5-14-9-12-3-7(10)4-13-9/h2-4H,5H2,1H3,(H,12,13,14)
InChIKeyFMKZVEXFBYZQOE-UHFFFAOYSA-N
XLogP1.52
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,2-N-dimethyl-4-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 164631259
N-(2-chloropyrimidin-5-yl)-5-fluoro-1,3-oxazole-2-carboxamide
CID 10285962
2-(5-Fluoropyrimidin-2-yl)-1,3-oxazole
CID 178599161
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103718664
5-fluoro-6-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 103736690
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-2-amine
CID 103826072
5-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
CID 103946675
5-fluoro-6-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 103946693
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 104969953
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluoropyrimidin-4-amine
CID 106375375
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine
CID 106375379
6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106375471

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-2-amine (CID 103826185) is 5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-2-amine is Cc1cnc(CNc2ncc(F)cn2)o1.
What is the InChIKey of 5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-2-amine?
The InChIKey is FMKZVEXFBYZQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O/c1-6-2-11-8(15-6)5-14-9-12-3-7(10)4-13-9/h2-4H,5H2,1H3,(H,12,13,14).
What are the key properties of 5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-2-amine?
5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-2-amine has a molecular weight of 208.20 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 103826185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).