5-(2-fluorophenyl)-N-methyl-4-(1-methylimidazol-2-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine

C22H21FN6 — CID 92567476

IUPAC5-(2-fluorophenyl)-N-methyl-4-(1-methylimidazol-2-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine
SMILESCN(CCc1ccccn1)c1ncc(-c2ccccc2F)c(-c2nccn2C)n1
InChIInChI=1S/C22H21FN6/c1-28-14-12-25-21(28)20-18(17-8-3-4-9-19(17)23)15-26-22(27-20)29(2)13-10-16-7-5-6-11-24-16/h3-9,11-12,14-15H,10,13H2,1-2H3
InChIKeyXBHUVXGCINLRHR-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.76
Rot. Bonds6

About 5-(2-fluorophenyl)-N-methyl-4-(1-methylimidazol-2-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine

5-(2-fluorophenyl)-N-methyl-4-(1-methylimidazol-2-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine (PubChem CID 92567476) has the molecular formula C22H21FN6 and a molecular weight of 388.45 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-methyl-4-(1-methylimidazol-2-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-methyl-4-(1-methylimidazol-2-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine
PubChem CID92567476
Molecular FormulaC22H21FN6
Molecular Weight388.45 g/mol
Exact Mass388.18
IUPAC Name5-(2-fluorophenyl)-N-methyl-4-(1-methylimidazol-2-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine
SMILESCN(CCc1ccccn1)c1ncc(-c2ccccc2F)c(-c2nccn2C)n1
InChIInChI=1S/C22H21FN6/c1-28-14-12-25-21(28)20-18(17-8-3-4-9-19(17)23)15-26-22(27-20)29(2)13-10-16-7-5-6-11-24-16/h3-9,11-12,14-15H,10,13H2,1-2H3
InChIKeyXBHUVXGCINLRHR-UHFFFAOYSA-N
XLogP3.76
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)pyrimidine
CID 46951518
N-methyl-N-(2-pyridin-2-ylethyl)-2,3,4,5,9,11,13-heptazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-10-amine
CID 135998096
N,N-dimethyl-5-[1-(2-pyridin-2-ylethyl)imidazol-2-yl]pyrimidin-2-amine
CID 56870823
4-N-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 50983388
[5-[methyl(2-pyridin-2-ylethyl)amino]pyrazin-2-yl]methanol
CID 107372677
3,5-difluoro-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 115506438
2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 79522521
N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 171328176
N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazol-3-amine
CID 133481473
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
5-fluoro-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 171328236
4-bromo-5-fluoro-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 66110096

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-methyl-4-(1-methylimidazol-2-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine?
The IUPAC name of 5-(2-fluorophenyl)-N-methyl-4-(1-methylimidazol-2-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine (CID 92567476) is 5-(2-fluorophenyl)-N-methyl-4-(1-methylimidazol-2-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(2-fluorophenyl)-N-methyl-4-(1-methylimidazol-2-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 5-(2-fluorophenyl)-N-methyl-4-(1-methylimidazol-2-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine is CN(CCc1ccccn1)c1ncc(-c2ccccc2F)c(-c2nccn2C)n1.
What is the InChIKey of 5-(2-fluorophenyl)-N-methyl-4-(1-methylimidazol-2-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine?
The InChIKey is XBHUVXGCINLRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6/c1-28-14-12-25-21(28)20-18(17-8-3-4-9-19(17)23)15-26-22(27-20)29(2)13-10-16-7-5-6-11-24-16/h3-9,11-12,14-15H,10,13H2,1-2H3.
What are the key properties of 5-(2-fluorophenyl)-N-methyl-4-(1-methylimidazol-2-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine?
5-(2-fluorophenyl)-N-methyl-4-(1-methylimidazol-2-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine has a molecular weight of 388.45 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-methyl-4-(1-methylimidazol-2-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 92567476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).