2-N-ethyl-5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine

C10H12FN5O — CID 81174335

IUPAC2-N-ethyl-5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NCc2ccon2)n1
InChIInChI=1S/C10H12FN5O/c1-2-12-10-14-6-8(11)9(15-10)13-5-7-3-4-17-16-7/h3-4,6H,2,5H2,1H3,(H2,12,13,14,15)
InChIKeyBPJUFOJOHRVNMO-UHFFFAOYSA-N
MW237.24 g/mol
LogP1.65
Rot. Bonds5

About 2-N-ethyl-5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine

2-N-ethyl-5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 81174335) has the molecular formula C10H12FN5O and a molecular weight of 237.24 g/mol. Its IUPAC name is 2-N-ethyl-5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID81174335
Molecular FormulaC10H12FN5O
Molecular Weight237.24 g/mol
Exact Mass237.10
IUPAC Name2-N-ethyl-5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NCc2ccon2)n1
InChIInChI=1S/C10H12FN5O/c1-2-12-10-14-6-8(11)9(15-10)13-5-7-3-4-17-16-7/h3-4,6H,2,5H2,1H3,(H2,12,13,14,15)
InChIKeyBPJUFOJOHRVNMO-UHFFFAOYSA-N
XLogP1.65
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine (CID 81174335) is 2-N-ethyl-5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine is CCNc1ncc(F)c(NCc2ccon2)n1.
What is the InChIKey of 2-N-ethyl-5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is BPJUFOJOHRVNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5O/c1-2-12-10-14-6-8(11)9(15-10)13-5-7-3-4-17-16-7/h3-4,6H,2,5H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-N-ethyl-5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine?
2-N-ethyl-5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 237.24 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 81174335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).