N-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyrimidin-2-amine

C14H13FN4O2 — CID 24780802

IUPACN-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyrimidin-2-amine
SMILESCOc1ccc2nc(-c3cnc(NCCF)nc3)oc2c1
InChIInChI=1S/C14H13FN4O2/c1-20-10-2-3-11-12(6-10)21-13(19-11)9-7-17-14(18-8-9)16-5-4-15/h2-3,6-8H,4-5H2,1H3,(H,16,17,18)
InChIKeyOKYACJPYGTYVQH-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.67
Rot. Bonds5

About N-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyrimidin-2-amine

N-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyrimidin-2-amine (PubChem CID 24780802) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is N-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyrimidin-2-amine
PubChem CID24780802
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC NameN-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyrimidin-2-amine
SMILESCOc1ccc2nc(-c3cnc(NCCF)nc3)oc2c1
InChIInChI=1S/C14H13FN4O2/c1-20-10-2-3-11-12(6-10)21-13(19-11)9-7-17-14(18-8-9)16-5-4-15/h2-3,6-8H,4-5H2,1H3,(H,16,17,18)
InChIKeyOKYACJPYGTYVQH-UHFFFAOYSA-N
XLogP2.67
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyrimidin-2-amine (CID 24780802) is N-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyrimidin-2-amine is COc1ccc2nc(-c3cnc(NCCF)nc3)oc2c1.
What is the InChIKey of N-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyrimidin-2-amine?
The InChIKey is OKYACJPYGTYVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c1-20-10-2-3-11-12(6-10)21-13(19-11)9-7-17-14(18-8-9)16-5-4-15/h2-3,6-8H,4-5H2,1H3,(H,16,17,18).
What are the key properties of N-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyrimidin-2-amine?
N-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyrimidin-2-amine has a molecular weight of 288.28 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 24780802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).