4-N-(2,4-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine

C13H14F2N4O — CID 19152519

IUPAC4-N-(2,4-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
SMILESCC(C)Oc1ncnc(Nc2ccc(F)cc2F)c1N
InChIInChI=1S/C13H14F2N4O/c1-7(2)20-13-11(16)12(17-6-18-13)19-10-4-3-8(14)5-9(10)15/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyWIBWLTYBELWARA-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.87
Rot. Bonds4

About 4-N-(2,4-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine

4-N-(2,4-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine (PubChem CID 19152519) has the molecular formula C13H14F2N4O and a molecular weight of 280.28 g/mol. Its IUPAC name is 4-N-(2,4-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2,4-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
PubChem CID19152519
Molecular FormulaC13H14F2N4O
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name4-N-(2,4-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
SMILESCC(C)Oc1ncnc(Nc2ccc(F)cc2F)c1N
InChIInChI=1S/C13H14F2N4O/c1-7(2)20-13-11(16)12(17-6-18-13)19-10-4-3-8(14)5-9(10)15/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyWIBWLTYBELWARA-UHFFFAOYSA-N
XLogP2.87
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-chloro-2-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 22546490
4-N-(2-chloro-4,6-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 83072877
4-N-(2,5-dichlorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19146760
4-N-(4-bromo-2-fluorophenyl)-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152924
4-N-(3-bromo-4-fluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 104775547
4-N-(2,5-difluorophenyl)-6-ethoxypyrimidine-4,5-diamine
CID 19152457
6-N-(2,4-difluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19144545
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19153374
4-N-benzhydryl-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19150226
4-N-(2,4-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19153814
4-N-(3,4-dimethylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 22546284
6-N-(3-chloro-2-methylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 22545479

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2,4-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine (CID 19152519) is 4-N-(2,4-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2,4-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2,4-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine is CC(C)Oc1ncnc(Nc2ccc(F)cc2F)c1N.
What is the InChIKey of 4-N-(2,4-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The InChIKey is WIBWLTYBELWARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O/c1-7(2)20-13-11(16)12(17-6-18-13)19-10-4-3-8(14)5-9(10)15/h3-7H,16H2,1-2H3,(H,17,18,19).
What are the key properties of 4-N-(2,4-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
4-N-(2,4-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine has a molecular weight of 280.28 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 19152519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).