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

C8H11ClF2N4O — CID 15022723

IUPAC6-[chloro(difluoro)methoxy]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCNc1nc(OC(F)(F)Cl)cc(N(C)C)n1
InChIInChI=1S/C8H11ClF2N4O/c1-12-7-13-5(15(2)3)4-6(14-7)16-8(9,10)11/h4H,1-3H3,(H,12,13,14)
InChIKeyNVWNQKCUWGUCHK-UHFFFAOYSA-N
MW252.65 g/mol
LogP1.75
Rot. Bonds4

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

6-[chloro(difluoro)methoxy]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine (PubChem CID 15022723) has the molecular formula C8H11ClF2N4O and a molecular weight of 252.65 g/mol. Its IUPAC name is 6-[chloro(difluoro)methoxy]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[chloro(difluoro)methoxy]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
PubChem CID15022723
Molecular FormulaC8H11ClF2N4O
Molecular Weight252.65 g/mol
Exact Mass252.06
IUPAC Name6-[chloro(difluoro)methoxy]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCNc1nc(OC(F)(F)Cl)cc(N(C)C)n1
InChIInChI=1S/C8H11ClF2N4O/c1-12-7-13-5(15(2)3)4-6(14-7)16-8(9,10)11/h4H,1-3H3,(H,12,13,14)
InChIKeyNVWNQKCUWGUCHK-UHFFFAOYSA-N
XLogP1.75
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.65
LogP ≤ 51.75
H-Bond Donors ≤ 51
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
2,4-Diamino-6-methoxypyrimidine
CID 816925
2-Amino-6-fluoro-4-methoxypyrimidine
CID 759140
4-Methoxy-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25129178
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
4-[Chloro(difluoro)methoxy]-2,6-difluoropyrimidine
CID 10987705
4-fluoro-6-methoxy-N-methylpyrimidin-2-amine
CID 14717233

Frequently Asked Questions

What is the IUPAC name of 6-[chloro(difluoro)methoxy]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 6-[chloro(difluoro)methoxy]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine (CID 15022723) is 6-[chloro(difluoro)methoxy]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-[chloro(difluoro)methoxy]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 6-[chloro(difluoro)methoxy]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine is CNc1nc(OC(F)(F)Cl)cc(N(C)C)n1.
What is the InChIKey of 6-[chloro(difluoro)methoxy]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine?
The InChIKey is NVWNQKCUWGUCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF2N4O/c1-12-7-13-5(15(2)3)4-6(14-7)16-8(9,10)11/h4H,1-3H3,(H,12,13,14).
What are the key properties of 6-[chloro(difluoro)methoxy]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine?
6-[chloro(difluoro)methoxy]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine has a molecular weight of 252.65 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 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,4-N-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 15022723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).