2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine

C10H10ClFN4O — CID 106375379

IUPAC2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine
SMILESCCc1cnc(CNc2nc(Cl)ncc2F)o1
InChIInChI=1S/C10H10ClFN4O/c1-2-6-3-13-8(17-6)5-14-9-7(12)4-15-10(11)16-9/h3-4H,2,5H2,1H3,(H,14,15,16)
InChIKeyZNRUWFXVYTVYCD-UHFFFAOYSA-N
MW256.67 g/mol
LogP2.43
Rot. Bonds4

About 2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine

2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine (PubChem CID 106375379) has the molecular formula C10H10ClFN4O and a molecular weight of 256.67 g/mol. Its IUPAC name is 2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine
PubChem CID106375379
Molecular FormulaC10H10ClFN4O
Molecular Weight256.67 g/mol
Exact Mass256.05
IUPAC Name2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine
SMILESCCc1cnc(CNc2nc(Cl)ncc2F)o1
InChIInChI=1S/C10H10ClFN4O/c1-2-6-3-13-8(17-6)5-14-9-7(12)4-15-10(11)16-9/h3-4H,2,5H2,1H3,(H,14,15,16)
InChIKeyZNRUWFXVYTVYCD-UHFFFAOYSA-N
XLogP2.43
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.67
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine with MolForge

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Related Compounds

1-[(5-Ethyl-1,3-oxazol-2-yl)methyl]-3-[2-(1-methylcyclopropyl)pyrimidin-4-yl]urea
CID 126831085
2-N,2-N-dimethyl-4-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 164631259
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
6-ethyl-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 103880297
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103946638
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine (CID 106375379) is 2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine is CCc1cnc(CNc2nc(Cl)ncc2F)o1.
What is the InChIKey of 2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine?
The InChIKey is ZNRUWFXVYTVYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4O/c1-2-6-3-13-8(17-6)5-14-9-7(12)4-15-10(11)16-9/h3-4H,2,5H2,1H3,(H,14,15,16).
What are the key properties of 2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine?
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine has a molecular weight of 256.67 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 106375379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).