4-N-(2,2-difluoroethyl)-5-fluoro-2-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine

C10H15F3N4O — CID 126829731

IUPAC4-N-(2,2-difluoroethyl)-5-fluoro-2-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCOCCN(C)c1ncc(F)c(NCC(F)F)n1
InChIInChI=1S/C10H15F3N4O/c1-17(3-4-18-2)10-15-5-7(11)9(16-10)14-6-8(12)13/h5,8H,3-4,6H2,1-2H3,(H,14,15,16)
InChIKeySZPWKHPCBWKFNK-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.38
Rot. Bonds7

About 4-N-(2,2-difluoroethyl)-5-fluoro-2-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine

4-N-(2,2-difluoroethyl)-5-fluoro-2-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 126829731) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 4-N-(2,2-difluoroethyl)-5-fluoro-2-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,2-difluoroethyl)-5-fluoro-2-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID126829731
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name4-N-(2,2-difluoroethyl)-5-fluoro-2-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCOCCN(C)c1ncc(F)c(NCC(F)F)n1
InChIInChI=1S/C10H15F3N4O/c1-17(3-4-18-2)10-15-5-7(11)9(16-10)14-6-8(12)13/h5,8H,3-4,6H2,1-2H3,(H,14,15,16)
InChIKeySZPWKHPCBWKFNK-UHFFFAOYSA-N
XLogP1.38
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-difluoroethyl)-5-fluoro-2-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,2-difluoroethyl)-5-fluoro-2-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine (CID 126829731) is 4-N-(2,2-difluoroethyl)-5-fluoro-2-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,2-difluoroethyl)-5-fluoro-2-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,2-difluoroethyl)-5-fluoro-2-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine is COCCN(C)c1ncc(F)c(NCC(F)F)n1.
What is the InChIKey of 4-N-(2,2-difluoroethyl)-5-fluoro-2-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is SZPWKHPCBWKFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-17(3-4-18-2)10-15-5-7(11)9(16-10)14-6-8(12)13/h5,8H,3-4,6H2,1-2H3,(H,14,15,16).
What are the key properties of 4-N-(2,2-difluoroethyl)-5-fluoro-2-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine?
4-N-(2,2-difluoroethyl)-5-fluoro-2-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 264.25 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-difluoroethyl)-5-fluoro-2-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 126829731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).