6-N-[4-(difluoromethoxy)phenyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine

C13H14F2N4O — CID 122282177

IUPAC6-N-[4-(difluoromethoxy)phenyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(Nc2ccc(OC(F)F)cc2)ncn1
InChIInChI=1S/C13H14F2N4O/c1-19(2)12-7-11(16-8-17-12)18-9-3-5-10(6-4-9)20-13(14)15/h3-8,13H,1-2H3,(H,16,17,18)
InChIKeyVHNSTLQYHTVQMB-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.89
Rot. Bonds5

About 6-N-[4-(difluoromethoxy)phenyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine

6-N-[4-(difluoromethoxy)phenyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine (PubChem CID 122282177) has the molecular formula C13H14F2N4O and a molecular weight of 280.28 g/mol. Its IUPAC name is 6-N-[4-(difluoromethoxy)phenyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[4-(difluoromethoxy)phenyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
PubChem CID122282177
Molecular FormulaC13H14F2N4O
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name6-N-[4-(difluoromethoxy)phenyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(Nc2ccc(OC(F)F)cc2)ncn1
InChIInChI=1S/C13H14F2N4O/c1-19(2)12-7-11(16-8-17-12)18-9-3-5-10(6-4-9)20-13(14)15/h3-8,13H,1-2H3,(H,16,17,18)
InChIKeyVHNSTLQYHTVQMB-UHFFFAOYSA-N
XLogP2.89
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(3,5-dimethoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122282022
6-N-(3-fluorophenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281980
4-N-[3-(difluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine
CID 122281805
6-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112866338
6-N-(4-ethoxyphenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866323
N-[4-(difluoromethoxy)phenyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80917076
5-bromo-N-[4-(difluoromethoxy)phenyl]pyridin-2-amine
CID 61373209
6-N-(4-aminophenyl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 115264271
6-N-(4-methoxyphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861859
6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112865025
6-N-(4-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112864985
4-N,4-N-dimethyl-6-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 122282065

Frequently Asked Questions

What is the IUPAC name of 6-N-[4-(difluoromethoxy)phenyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[4-(difluoromethoxy)phenyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine (CID 122282177) is 6-N-[4-(difluoromethoxy)phenyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[4-(difluoromethoxy)phenyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[4-(difluoromethoxy)phenyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is CN(C)c1cc(Nc2ccc(OC(F)F)cc2)ncn1.
What is the InChIKey of 6-N-[4-(difluoromethoxy)phenyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is VHNSTLQYHTVQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O/c1-19(2)12-7-11(16-8-17-12)18-9-3-5-10(6-4-9)20-13(14)15/h3-8,13H,1-2H3,(H,16,17,18).
What are the key properties of 6-N-[4-(difluoromethoxy)phenyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
6-N-[4-(difluoromethoxy)phenyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 280.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[4-(difluoromethoxy)phenyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 122282177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).