4-[bis(2-fluoroethyl)amino]-6-methylpyrimidin-5-ol

C9H13F2N3O — CID 176929620

IUPAC4-[bis(2-fluoroethyl)amino]-6-methylpyrimidin-5-ol
SMILESCc1ncnc(N(CCF)CCF)c1O
InChIInChI=1S/C9H13F2N3O/c1-7-8(15)9(13-6-12-7)14(4-2-10)5-3-11/h6,15H,2-5H2,1H3
InChIKeyKQKWQBUZXHPILJ-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.24
Rot. Bonds5

About 4-[bis(2-fluoroethyl)amino]-6-methylpyrimidin-5-ol

4-[bis(2-fluoroethyl)amino]-6-methylpyrimidin-5-ol (PubChem CID 176929620) has the molecular formula C9H13F2N3O and a molecular weight of 217.22 g/mol. Its IUPAC name is 4-[bis(2-fluoroethyl)amino]-6-methylpyrimidin-5-ol.

Molecular Properties

Compound Name4-[bis(2-fluoroethyl)amino]-6-methylpyrimidin-5-ol
PubChem CID176929620
Molecular FormulaC9H13F2N3O
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name4-[bis(2-fluoroethyl)amino]-6-methylpyrimidin-5-ol
SMILESCc1ncnc(N(CCF)CCF)c1O
InChIInChI=1S/C9H13F2N3O/c1-7-8(15)9(13-6-12-7)14(4-2-10)5-3-11/h6,15H,2-5H2,1H3
InChIKeyKQKWQBUZXHPILJ-UHFFFAOYSA-N
XLogP1.24
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-fluoroethyl)amino]-6-methylpyrimidin-5-ol?
The IUPAC name of 4-[bis(2-fluoroethyl)amino]-6-methylpyrimidin-5-ol (CID 176929620) is 4-[bis(2-fluoroethyl)amino]-6-methylpyrimidin-5-ol.
What is the SMILES notation for 4-[bis(2-fluoroethyl)amino]-6-methylpyrimidin-5-ol?
The canonical SMILES for 4-[bis(2-fluoroethyl)amino]-6-methylpyrimidin-5-ol is Cc1ncnc(N(CCF)CCF)c1O.
What is the InChIKey of 4-[bis(2-fluoroethyl)amino]-6-methylpyrimidin-5-ol?
The InChIKey is KQKWQBUZXHPILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O/c1-7-8(15)9(13-6-12-7)14(4-2-10)5-3-11/h6,15H,2-5H2,1H3.
What are the key properties of 4-[bis(2-fluoroethyl)amino]-6-methylpyrimidin-5-ol?
4-[bis(2-fluoroethyl)amino]-6-methylpyrimidin-5-ol has a molecular weight of 217.22 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-fluoroethyl)amino]-6-methylpyrimidin-5-ol is sourced from PubChem (CID 176929620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).