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

C9H10FN5O — CID 81174014

IUPAC5-fluoro-2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCc2ccon2)n1
InChIInChI=1S/C9H10FN5O/c1-11-9-13-5-7(10)8(14-9)12-4-6-2-3-16-15-6/h2-3,5H,4H2,1H3,(H2,11,12,13,14)
InChIKeyJDGOJFONPLLALY-UHFFFAOYSA-N
MW223.21 g/mol
LogP1.26
Rot. Bonds4

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

5-fluoro-2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 81174014) has the molecular formula C9H10FN5O and a molecular weight of 223.21 g/mol. Its IUPAC name is 5-fluoro-2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID81174014
Molecular FormulaC9H10FN5O
Molecular Weight223.21 g/mol
Exact Mass223.09
IUPAC Name5-fluoro-2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCc2ccon2)n1
InChIInChI=1S/C9H10FN5O/c1-11-9-13-5-7(10)8(14-9)12-4-6-2-3-16-15-6/h2-3,5H,4H2,1H3,(H2,11,12,13,14)
InChIKeyJDGOJFONPLLALY-UHFFFAOYSA-N
XLogP1.26
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine (CID 81174014) is 5-fluoro-2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine is CNc1ncc(F)c(NCc2ccon2)n1.
What is the InChIKey of 5-fluoro-2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is JDGOJFONPLLALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5O/c1-11-9-13-5-7(10)8(14-9)12-4-6-2-3-16-15-6/h2-3,5H,4H2,1H3,(H2,11,12,13,14).
What are the key properties of 5-fluoro-2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine?
5-fluoro-2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 223.21 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 81174014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).