4-N-(2,6-difluorophenyl)-6-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine

C19H18F2N4O — CID 112878475

IUPAC4-N-(2,6-difluorophenyl)-6-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCCOc1ccccc1Nc1cc(Nc2c(F)cccc2F)nc(C)n1
InChIInChI=1S/C19H18F2N4O/c1-3-26-16-10-5-4-9-15(16)24-17-11-18(23-12(2)22-17)25-19-13(20)7-6-8-14(19)21/h4-11H,3H2,1-2H3,(H2,22,23,24,25)
InChIKeyPCNJMNBIYXCQAC-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.95
Rot. Bonds6

About 4-N-(2,6-difluorophenyl)-6-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine

4-N-(2,6-difluorophenyl)-6-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112878475) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-N-(2,6-difluorophenyl)-6-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,6-difluorophenyl)-6-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112878475
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name4-N-(2,6-difluorophenyl)-6-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCCOc1ccccc1Nc1cc(Nc2c(F)cccc2F)nc(C)n1
InChIInChI=1S/C19H18F2N4O/c1-3-26-16-10-5-4-9-15(16)24-17-11-18(23-12(2)22-17)25-19-13(20)7-6-8-14(19)21/h4-11H,3H2,1-2H3,(H2,22,23,24,25)
InChIKeyPCNJMNBIYXCQAC-UHFFFAOYSA-N
XLogP4.95
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(difluoromethyl)-N-(2-ethoxyphenyl)-2-methylpyrimidin-4-amine
CID 154882785
methyl 2-[[6-(2-ethoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878454
4-N-(2-ethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872848
4-N-(2-ethoxyphenyl)-6-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112875858
4-N-(2,6-difluorophenyl)-6-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877504
N-(2-ethoxyphenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868907
6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878464
6-(2-ethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360701
4-N-(2-ethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80926816
6-(2-ethoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846855
4-N-(2-ethoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80939464
4-[6-(2-ethoxyanilino)-2-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112871098

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-difluorophenyl)-6-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,6-difluorophenyl)-6-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine (CID 112878475) is 4-N-(2,6-difluorophenyl)-6-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,6-difluorophenyl)-6-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,6-difluorophenyl)-6-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine is CCOc1ccccc1Nc1cc(Nc2c(F)cccc2F)nc(C)n1.
What is the InChIKey of 4-N-(2,6-difluorophenyl)-6-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is PCNJMNBIYXCQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O/c1-3-26-16-10-5-4-9-15(16)24-17-11-18(23-12(2)22-17)25-19-13(20)7-6-8-14(19)21/h4-11H,3H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 4-N-(2,6-difluorophenyl)-6-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine?
4-N-(2,6-difluorophenyl)-6-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 356.38 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-difluorophenyl)-6-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112878475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).