6-[chloro(difluoro)methoxy]-2-N,4-N-dimethylpyrimidine-2,4-diamine

C7H9ClF2N4O — CID 19106301

IUPAC6-[chloro(difluoro)methoxy]-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1cc(OC(F)(F)Cl)nc(NC)n1
InChIInChI=1S/C7H9ClF2N4O/c1-11-4-3-5(15-7(8,9)10)14-6(12-2)13-4/h3H,1-2H3,(H2,11,12,13,14)
InChIKeyJRQIOIZHHXNLIL-UHFFFAOYSA-N
MW238.62 g/mol
LogP1.73
Rot. Bonds4

About 6-[chloro(difluoro)methoxy]-2-N,4-N-dimethylpyrimidine-2,4-diamine

6-[chloro(difluoro)methoxy]-2-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 19106301) has the molecular formula C7H9ClF2N4O and a molecular weight of 238.62 g/mol. Its IUPAC name is 6-[chloro(difluoro)methoxy]-2-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[chloro(difluoro)methoxy]-2-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID19106301
Molecular FormulaC7H9ClF2N4O
Molecular Weight238.62 g/mol
Exact Mass238.04
IUPAC Name6-[chloro(difluoro)methoxy]-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1cc(OC(F)(F)Cl)nc(NC)n1
InChIInChI=1S/C7H9ClF2N4O/c1-11-4-3-5(15-7(8,9)10)14-6(12-2)13-4/h3H,1-2H3,(H2,11,12,13,14)
InChIKeyJRQIOIZHHXNLIL-UHFFFAOYSA-N
XLogP1.73
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.62
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,6-Dimethoxy-4-aminopyrimidine
CID 76789
4-Amino-6-methoxypyrimidine
CID 735731
2,4-Diamino-6-methoxypyrimidine
CID 816925
2-Amino-6-fluoro-4-methoxypyrimidine
CID 759140
6-Methoxy-2-methylpyrimidin-4-amine
CID 549435
4-N-butyl-6-methoxypyrimidine-2,4-diamine
CID 103817396
4,6-dimethoxy-N-methylpyrimidin-2-amine
CID 676475
2,6-Dimethoxy-N,N,N-trimethylpyrimidin-4-aminium chloride
CID 12684329
6-methoxy-N-methylpyrimidin-4-amine
CID 16044348
6-Methoxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 606209
2-chloro-6-methoxy-4-Pyrimidinamine
CID 12272868
N-(3,3-difluorocyclobutyl)-4,6-dimethoxypyrimidin-2-amine
CID 136542373

Frequently Asked Questions

What is the IUPAC name of 6-[chloro(difluoro)methoxy]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 6-[chloro(difluoro)methoxy]-2-N,4-N-dimethylpyrimidine-2,4-diamine (CID 19106301) is 6-[chloro(difluoro)methoxy]-2-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-[chloro(difluoro)methoxy]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 6-[chloro(difluoro)methoxy]-2-N,4-N-dimethylpyrimidine-2,4-diamine is CNc1cc(OC(F)(F)Cl)nc(NC)n1.
What is the InChIKey of 6-[chloro(difluoro)methoxy]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is JRQIOIZHHXNLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF2N4O/c1-11-4-3-5(15-7(8,9)10)14-6(12-2)13-4/h3H,1-2H3,(H2,11,12,13,14).
What are the key properties of 6-[chloro(difluoro)methoxy]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
6-[chloro(difluoro)methoxy]-2-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 238.62 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro(difluoro)methoxy]-2-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 19106301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).