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

C9H8ClFN4O — CID 106375480

IUPAC2-chloro-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1cnc(CNc2nc(Cl)ncc2F)o1
InChIInChI=1S/C9H8ClFN4O/c1-5-2-12-7(16-5)4-13-8-6(11)3-14-9(10)15-8/h2-3H,4H2,1H3,(H,13,14,15)
InChIKeyUPIUDESSWVFJJP-UHFFFAOYSA-N
MW242.64 g/mol
LogP2.18
Rot. Bonds3

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

2-chloro-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 106375480) has the molecular formula C9H8ClFN4O and a molecular weight of 242.64 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID106375480
Molecular FormulaC9H8ClFN4O
Molecular Weight242.64 g/mol
Exact Mass242.04
IUPAC Name2-chloro-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1cnc(CNc2nc(Cl)ncc2F)o1
InChIInChI=1S/C9H8ClFN4O/c1-5-2-12-7(16-5)4-13-8-6(11)3-14-9(10)15-8/h2-3H,4H2,1H3,(H,13,14,15)
InChIKeyUPIUDESSWVFJJP-UHFFFAOYSA-N
XLogP2.18
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.64
LogP ≤ 52.18
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
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
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]-6-fluoropyrimidin-4-amine
CID 106375375
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine
CID 106375379
6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106375408
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 106375429
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 2-chloro-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine (CID 106375480) is 2-chloro-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine is Cc1cnc(CNc2nc(Cl)ncc2F)o1.
What is the InChIKey of 2-chloro-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is UPIUDESSWVFJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN4O/c1-5-2-12-7(16-5)4-13-8-6(11)3-14-9(10)15-8/h2-3H,4H2,1H3,(H,13,14,15).
What are the key properties of 2-chloro-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
2-chloro-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 242.64 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 106375480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).