2-N-(4-fluorooxolan-3-yl)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine

C11H17FN4O — CID 126856133

IUPAC2-N-(4-fluorooxolan-3-yl)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(N(C)C2COCC2F)n1
InChIInChI=1S/C11H17FN4O/c1-15(2)10-4-5-13-11(14-10)16(3)9-7-17-6-8(9)12/h4-5,8-9H,6-7H2,1-3H3
InChIKeyMXYQNSWAPMEXQR-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.72
Rot. Bonds3

About 2-N-(4-fluorooxolan-3-yl)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine

2-N-(4-fluorooxolan-3-yl)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine (PubChem CID 126856133) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-N-(4-fluorooxolan-3-yl)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-fluorooxolan-3-yl)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
PubChem CID126856133
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name2-N-(4-fluorooxolan-3-yl)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(N(C)C2COCC2F)n1
InChIInChI=1S/C11H17FN4O/c1-15(2)10-4-5-13-11(14-10)16(3)9-7-17-6-8(9)12/h4-5,8-9H,6-7H2,1-3H3
InChIKeyMXYQNSWAPMEXQR-UHFFFAOYSA-N
XLogP0.72
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorooxolan-3-yl)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-fluorooxolan-3-yl)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine (CID 126856133) is 2-N-(4-fluorooxolan-3-yl)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-fluorooxolan-3-yl)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-fluorooxolan-3-yl)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine is CN(C)c1ccnc(N(C)C2COCC2F)n1.
What is the InChIKey of 2-N-(4-fluorooxolan-3-yl)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine?
The InChIKey is MXYQNSWAPMEXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-15(2)10-4-5-13-11(14-10)16(3)9-7-17-6-8(9)12/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 2-N-(4-fluorooxolan-3-yl)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine?
2-N-(4-fluorooxolan-3-yl)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine has a molecular weight of 240.28 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorooxolan-3-yl)-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 126856133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).