2-N-ethyl-4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine

C21H23FN4 — CID 112917326

IUPAC2-N-ethyl-4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCCN(c1cccc(C)c1)c1nc(C)cc(NCc2ccccc2F)n1
InChIInChI=1S/C21H23FN4/c1-4-26(18-10-7-8-15(2)12-18)21-24-16(3)13-20(25-21)23-14-17-9-5-6-11-19(17)22/h5-13H,4,14H2,1-3H3,(H,23,24,25)
InChIKeyGTELWZAPCFAFLC-UHFFFAOYSA-N
MW350.44 g/mol
LogP5.00
Rot. Bonds6

About 2-N-ethyl-4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine

2-N-ethyl-4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 112917326) has the molecular formula C21H23FN4 and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-N-ethyl-4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
PubChem CID112917326
Molecular FormulaC21H23FN4
Molecular Weight350.44 g/mol
Exact Mass350.19
IUPAC Name2-N-ethyl-4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCCN(c1cccc(C)c1)c1nc(C)cc(NCc2ccccc2F)n1
InChIInChI=1S/C21H23FN4/c1-4-26(18-10-7-8-15(2)12-18)21-24-16(3)13-20(25-21)23-14-17-9-5-6-11-19(17)22/h5-13H,4,14H2,1-3H3,(H,23,24,25)
InChIKeyGTELWZAPCFAFLC-UHFFFAOYSA-N
XLogP5.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.44
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-ethyl-5-N-[(2-fluorophenyl)methyl]-3-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112949694
2-N-ethyl-6-methyl-2-N-(3-methylphenyl)-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907876
2-N-ethyl-6-methyl-4-N-(2-methylphenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927072
2-N-ethyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112932348
2-N-ethyl-4-N-(2-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112930483
2-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256997
N-[(2-fluorophenyl)methyl]-6-methyl-2-methylsulfanylpyrimidin-4-amine
CID 154583347
4-(aminomethyl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 107541694
6-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369741
N-ethyl-2-[(2-fluorophenyl)methylamino]-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109170542
2-N-(3,5-dimethylphenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917253
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112922741

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine (CID 112917326) is 2-N-ethyl-4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine is CCN(c1cccc(C)c1)c1nc(C)cc(NCc2ccccc2F)n1.
What is the InChIKey of 2-N-ethyl-4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is GTELWZAPCFAFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4/c1-4-26(18-10-7-8-15(2)12-18)21-24-16(3)13-20(25-21)23-14-17-9-5-6-11-19(17)22/h5-13H,4,14H2,1-3H3,(H,23,24,25).
What are the key properties of 2-N-ethyl-4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
2-N-ethyl-4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 350.44 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112917326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).