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

C12H16FN5O — CID 80813576

IUPAC5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NCc2cc(C)on2)n1
InChIInChI=1S/C12H16FN5O/c1-3-4-14-12-16-7-10(13)11(17-12)15-6-9-5-8(2)19-18-9/h5,7H,3-4,6H2,1-2H3,(H2,14,15,16,17)
InChIKeyYDOBMJFXUPBJNG-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.35
Rot. Bonds6

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

5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80813576) has the molecular formula C12H16FN5O and a molecular weight of 265.29 g/mol. Its IUPAC name is 5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
PubChem CID80813576
Molecular FormulaC12H16FN5O
Molecular Weight265.29 g/mol
Exact Mass265.13
IUPAC Name5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NCc2cc(C)on2)n1
InChIInChI=1S/C12H16FN5O/c1-3-4-14-12-16-7-10(13)11(17-12)15-6-9-5-8(2)19-18-9/h5,7H,3-4,6H2,1-2H3,(H2,14,15,16,17)
InChIKeyYDOBMJFXUPBJNG-UHFFFAOYSA-N
XLogP2.35
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.35
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]-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-N-propylpyrimidine-2,4-diamine (CID 80813576) is 5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(NCc2cc(C)on2)n1.
What is the InChIKey of 5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is YDOBMJFXUPBJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5O/c1-3-4-14-12-16-7-10(13)11(17-12)15-6-9-5-8(2)19-18-9/h5,7H,3-4,6H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-N-propylpyrimidine-2,4-diamine?
5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 265.29 g/mol, XLogP of 2.35, 6 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]-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80813576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).