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

C10H11FN4O — CID 103946675

IUPAC5-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
SMILESCc1cnc(C(C)Nc2ncc(F)cn2)o1
InChIInChI=1S/C10H11FN4O/c1-6-3-12-9(16-6)7(2)15-10-13-4-8(11)5-14-10/h3-5,7H,1-2H3,(H,13,14,15)
InChIKeyYKJKQXHMUBLPKV-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.09
Rot. Bonds3

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

5-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine (PubChem CID 103946675) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is 5-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
PubChem CID103946675
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name5-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
SMILESCc1cnc(C(C)Nc2ncc(F)cn2)o1
InChIInChI=1S/C10H11FN4O/c1-6-3-12-9(16-6)7(2)15-10-13-4-8(11)5-14-10/h3-5,7H,1-2H3,(H,13,14,15)
InChIKeyYKJKQXHMUBLPKV-UHFFFAOYSA-N
XLogP2.09
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.09
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
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-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-2-amine
CID 103826185
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103946638
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-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine (CID 103946675) is 5-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine is Cc1cnc(C(C)Nc2ncc(F)cn2)o1.
What is the InChIKey of 5-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine?
The InChIKey is YKJKQXHMUBLPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c1-6-3-12-9(16-6)7(2)15-10-13-4-8(11)5-14-10/h3-5,7H,1-2H3,(H,13,14,15).
What are the key properties of 5-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine?
5-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine has a molecular weight of 222.22 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 103946675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).