5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine

C9H10FN5O — CID 80814214

IUPAC5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(CNc2nc(N)ncc2F)no1
InChIInChI=1S/C9H10FN5O/c1-5-2-6(15-16-5)3-12-8-7(10)4-13-9(11)14-8/h2,4H,3H2,1H3,(H3,11,12,13,14)
InChIKeyQORDKBAODIVTPM-UHFFFAOYSA-N
MW223.21 g/mol
LogP1.11
Rot. Bonds3

About 5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine

5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80814214) has the molecular formula C9H10FN5O and a molecular weight of 223.21 g/mol. Its IUPAC name is 5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80814214
Molecular FormulaC9H10FN5O
Molecular Weight223.21 g/mol
Exact Mass223.09
IUPAC Name5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(CNc2nc(N)ncc2F)no1
InChIInChI=1S/C9H10FN5O/c1-5-2-6(15-16-5)3-12-8-7(10)4-13-9(11)14-8/h2,4H,3H2,1H3,(H3,11,12,13,14)
InChIKeyQORDKBAODIVTPM-UHFFFAOYSA-N
XLogP1.11
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine (CID 80814214) is 5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine is Cc1cc(CNc2nc(N)ncc2F)no1.
What is the InChIKey of 5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is QORDKBAODIVTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5O/c1-5-2-6(15-16-5)3-12-8-7(10)4-13-9(11)14-8/h2,4H,3H2,1H3,(H3,11,12,13,14).
What are the key properties of 5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine?
5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 223.21 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80814214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).