N,N-bis(2-fluoroethyl)-2,4-dimethoxypyrimidin-5-amine

C10H15F2N3O2 — CID 71383047

IUPACN,N-bis(2-fluoroethyl)-2,4-dimethoxypyrimidin-5-amine
SMILESCOc1ncc(N(CCF)CCF)c(OC)n1
InChIInChI=1S/C10H15F2N3O2/c1-16-9-8(7-13-10(14-9)17-2)15(5-3-11)6-4-12/h7H,3-6H2,1-2H3
InChIKeyKLYRDLRCPPXUME-UHFFFAOYSA-N
MW247.24 g/mol
LogP1.24
Rot. Bonds7

About N,N-bis(2-fluoroethyl)-2,4-dimethoxypyrimidin-5-amine

N,N-bis(2-fluoroethyl)-2,4-dimethoxypyrimidin-5-amine (PubChem CID 71383047) has the molecular formula C10H15F2N3O2 and a molecular weight of 247.24 g/mol. Its IUPAC name is N,N-bis(2-fluoroethyl)-2,4-dimethoxypyrimidin-5-amine.

Molecular Properties

Compound NameN,N-bis(2-fluoroethyl)-2,4-dimethoxypyrimidin-5-amine
PubChem CID71383047
Molecular FormulaC10H15F2N3O2
Molecular Weight247.24 g/mol
Exact Mass247.11
IUPAC NameN,N-bis(2-fluoroethyl)-2,4-dimethoxypyrimidin-5-amine
SMILESCOc1ncc(N(CCF)CCF)c(OC)n1
InChIInChI=1S/C10H15F2N3O2/c1-16-9-8(7-13-10(14-9)17-2)15(5-3-11)6-4-12/h7H,3-6H2,1-2H3
InChIKeyKLYRDLRCPPXUME-UHFFFAOYSA-N
XLogP1.24
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-fluoroethyl)-2,4-dimethoxypyrimidin-5-amine?
The IUPAC name of N,N-bis(2-fluoroethyl)-2,4-dimethoxypyrimidin-5-amine (CID 71383047) is N,N-bis(2-fluoroethyl)-2,4-dimethoxypyrimidin-5-amine.
What is the SMILES notation for N,N-bis(2-fluoroethyl)-2,4-dimethoxypyrimidin-5-amine?
The canonical SMILES for N,N-bis(2-fluoroethyl)-2,4-dimethoxypyrimidin-5-amine is COc1ncc(N(CCF)CCF)c(OC)n1.
What is the InChIKey of N,N-bis(2-fluoroethyl)-2,4-dimethoxypyrimidin-5-amine?
The InChIKey is KLYRDLRCPPXUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O2/c1-16-9-8(7-13-10(14-9)17-2)15(5-3-11)6-4-12/h7H,3-6H2,1-2H3.
What are the key properties of N,N-bis(2-fluoroethyl)-2,4-dimethoxypyrimidin-5-amine?
N,N-bis(2-fluoroethyl)-2,4-dimethoxypyrimidin-5-amine has a molecular weight of 247.24 g/mol, XLogP of 1.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-fluoroethyl)-2,4-dimethoxypyrimidin-5-amine is sourced from PubChem (CID 71383047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).