4-(2,5-dimethylpyrazol-3-yl)oxy-N-ethyl-5-fluoropyrimidin-2-amine

C11H14FN5O — CID 81346796

IUPAC4-(2,5-dimethylpyrazol-3-yl)oxy-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(Oc2cc(C)nn2C)n1
InChIInChI=1S/C11H14FN5O/c1-4-13-11-14-6-8(12)10(15-11)18-9-5-7(2)16-17(9)3/h5-6H,4H2,1-3H3,(H,13,14,15)
InChIKeyRUXMPIIKVZZSFQ-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.88
Rot. Bonds4

About 4-(2,5-dimethylpyrazol-3-yl)oxy-N-ethyl-5-fluoropyrimidin-2-amine

4-(2,5-dimethylpyrazol-3-yl)oxy-N-ethyl-5-fluoropyrimidin-2-amine (PubChem CID 81346796) has the molecular formula C11H14FN5O and a molecular weight of 251.26 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrazol-3-yl)oxy-N-ethyl-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethylpyrazol-3-yl)oxy-N-ethyl-5-fluoropyrimidin-2-amine
PubChem CID81346796
Molecular FormulaC11H14FN5O
Molecular Weight251.26 g/mol
Exact Mass251.12
IUPAC Name4-(2,5-dimethylpyrazol-3-yl)oxy-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCNc1ncc(F)c(Oc2cc(C)nn2C)n1
InChIInChI=1S/C11H14FN5O/c1-4-13-11-14-6-8(12)10(15-11)18-9-5-7(2)16-17(9)3/h5-6H,4H2,1-3H3,(H,13,14,15)
InChIKeyRUXMPIIKVZZSFQ-UHFFFAOYSA-N
XLogP1.88
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 51105076
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-N'-pyrimidin-2-ylethane-1,2-diamine
CID 53539832
4-methoxy-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrimidin-2-amine
CID 164638283
2-Amino-4-(1-methyl-3-trifluoromethylpyrazol-5-yloxy)-5-methylpyrimidine
CID 12056711
2-Iodo-6-(1-methyl-3-trifluoromethylpyrazol-5-yloxy)-5-methylpyrimidine
CID 12056712
2-Chloro-6-methyl-4-(1-methyl-3-trifluoromethyl-5-pyrazolyloxy)pyrimidine
CID 53771522
1-[3-Ethyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyimidazol-4-yl]ethanamine
CID 57782167
5-Fluoro-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyrimidin-4-amine
CID 57818559
4-Methoxy-6-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 59533461
2-N-(1,5-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)pyrimidine-2,5-diamine
CID 69281487
2-(2-Ethylpyrazol-3-yl)oxy-5-fluoro-4-methylpyrimidine
CID 118311848
4-(2,2-difluoroethoxy)-N-(1,5-dimethylpyrazol-4-yl)-5-(methyliminomethyl)pyrimidin-2-amine
CID 123704475

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)oxy-N-ethyl-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)oxy-N-ethyl-5-fluoropyrimidin-2-amine (CID 81346796) is 4-(2,5-dimethylpyrazol-3-yl)oxy-N-ethyl-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(2,5-dimethylpyrazol-3-yl)oxy-N-ethyl-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(2,5-dimethylpyrazol-3-yl)oxy-N-ethyl-5-fluoropyrimidin-2-amine is CCNc1ncc(F)c(Oc2cc(C)nn2C)n1.
What is the InChIKey of 4-(2,5-dimethylpyrazol-3-yl)oxy-N-ethyl-5-fluoropyrimidin-2-amine?
The InChIKey is RUXMPIIKVZZSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5O/c1-4-13-11-14-6-8(12)10(15-11)18-9-5-7(2)16-17(9)3/h5-6H,4H2,1-3H3,(H,13,14,15).
What are the key properties of 4-(2,5-dimethylpyrazol-3-yl)oxy-N-ethyl-5-fluoropyrimidin-2-amine?
4-(2,5-dimethylpyrazol-3-yl)oxy-N-ethyl-5-fluoropyrimidin-2-amine has a molecular weight of 251.26 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrazol-3-yl)oxy-N-ethyl-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 81346796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).